----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:22:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296751010000000 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): *1 Be 0.26112445143386 0.61849093056513 0.87747331449426 9.012 2 Be 0.73887554856614 0.11849093056513 0.62252668550574 9.012 3 Be 0.26112445143386 0.88150906943487 0.37747331449426 9.012 4 Be 0.73887554856614 0.38150906943487 0.12252668550574 9.012 *5 Be 0.09034082892732 0.54255495925141 0.96134297000367 9.012 6 Be 0.90965917107268 0.04255495925141 0.53865702999633 9.012 7 Be 0.90965917107268 0.45744504074859 0.03865702999633 9.012 8 Be 0.09034082892732 0.95744504074859 0.46134297000367 9.012 *9 O 0.75319816882941 0.22554359267374 0.02205431251185 15.999 10 O 0.24680183117059 0.72554359267374 0.47794568748815 15.999 11 O 0.75319816882941 0.27445640732626 0.52205431251185 15.999 12 O 0.24680183117059 0.77445640732626 0.97794568748815 15.999 *13 O 0.87255143759471 0.88430359805090 0.64095136637456 15.999 14 O 0.12744856240529 0.38430359805090 0.85904863362544 15.999 15 O 0.87255143759471 0.61569640194910 0.14095136637456 15.999 16 O 0.12744856240529 0.11569640194910 0.35904863362544 15.999 *17 O 0.36217018870951 0.69344861313771 0.80617057892808 15.999 18 O 0.63782981129049 0.19344861313771 0.69382942107192 15.999 19 O 0.63782981129049 0.30655138686229 0.19382942107192 15.999 20 O 0.36217018870951 0.80655138686229 0.30617057892808 15.999 *21 O 0.86900062889585 0.86692393920842 0.42304349176017 15.999 22 O 0.13099937110415 0.36692393920842 0.07695650823983 15.999 23 O 0.13099937110415 0.13307606079158 0.57695650823983 15.999 24 O 0.86900062889585 0.63307606079158 0.92304349176017 15.999 *25 Na 0.07423934237325 0.55333997232744 0.62543380299198 22.990 26 Na 0.92576065762675 0.05333997232744 0.87456619700802 22.990 *27 Na 0.64553679896917 0.83193620702263 0.96595661235857 22.990 28 Na 0.35446320103083 0.33193620702262 0.53404338764143 22.990 29 Na 0.64553679896917 0.66806379297737 0.46595661235857 22.990 30 Na 0.35446320103083 0.16806379297738 0.03404338764143 22.990 *31 Na 0.42016528742467 0.61753390314434 0.16755526778988 22.990 32 Na 0.57983471257533 0.11753390314434 0.33244473221012 22.990 33 Na 0.42016528742467 0.88246609685566 0.66755526778988 22.990 34 Na 0.57983471257533 0.38246609685566 0.83244473221012 22.990 35 Na 0.92576065762675 0.44666002767256 0.37456619700802 22.990 36 Na 0.07423934237325 0.94666002767256 0.12543380299198 22.990 *37 Na 0.17412844602822 0.05746591010617 0.76440252352328 22.990 38 Na 0.82587155397178 0.55746591010616 0.73559747647672 22.990 39 Na 0.82587155397178 0.94253408989384 0.23559747647672 22.990 40 Na 0.17412844602822 0.44253408989384 0.26440252352328 22.990 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296751010000000 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): *1 Be 0.26112445143386 0.61849093056513 0.87747331449426 9.012 > 1 2 Be 0.73887554856614 0.11849093056513 0.62252668550574 9.012 > 2 3 Be 0.26112445143386 0.88150906943487 0.37747331449426 9.012 > 3 4 Be 0.73887554856614 0.38150906943487 0.12252668550574 9.012 > 4 *5 Be 0.09034082892732 0.54255495925141 0.96134297000367 9.012 > 5 6 Be 0.90965917107268 0.04255495925141 0.53865702999633 9.012 > 6 7 Be 0.90965917107268 0.45744504074859 0.03865702999633 9.012 > 7 8 Be 0.09034082892732 0.95744504074859 0.46134297000367 9.012 > 8 *9 O 0.75319816882941 0.22554359267374 0.02205431251185 15.999 > 9 10 O 0.24680183117059 0.72554359267374 0.47794568748815 15.999 > 10 11 O 0.75319816882941 0.27445640732626 0.52205431251185 15.999 > 11 12 O 0.24680183117059 0.77445640732626 0.97794568748815 15.999 > 12 *13 O 0.87255143759471 0.88430359805090 0.64095136637456 15.999 > 13 14 O 0.12744856240529 0.38430359805090 0.85904863362544 15.999 > 14 15 O 0.87255143759471 0.61569640194910 0.14095136637456 15.999 > 15 16 O 0.12744856240529 0.11569640194910 0.35904863362544 15.999 > 16 *17 O 0.36217018870951 0.69344861313771 0.80617057892808 15.999 > 17 18 O 0.63782981129049 0.19344861313771 0.69382942107192 15.999 > 18 19 O 0.63782981129049 0.30655138686229 0.19382942107192 15.999 > 19 20 O 0.36217018870951 0.80655138686229 0.30617057892808 15.999 > 20 *21 O 0.86900062889585 0.86692393920842 0.42304349176017 15.999 > 21 22 O 0.13099937110415 0.36692393920842 0.07695650823983 15.999 > 22 23 O 0.13099937110415 0.13307606079158 0.57695650823983 15.999 > 23 24 O 0.86900062889585 0.63307606079158 0.92304349176017 15.999 > 24 *25 Na 0.07423934237325 0.55333997232744 0.62543380299198 22.990 > 25 26 Na 0.92576065762675 0.05333997232744 0.87456619700802 22.990 > 26 *27 Na 0.64553679896917 0.83193620702263 0.96595661235857 22.990 > 27 28 Na 0.35446320103083 0.33193620702262 0.53404338764143 22.990 > 28 29 Na 0.64553679896917 0.66806379297737 0.46595661235857 22.990 > 29 30 Na 0.35446320103083 0.16806379297738 0.03404338764143 22.990 > 30 *31 Na 0.42016528742467 0.61753390314434 0.16755526778988 22.990 > 31 32 Na 0.57983471257533 0.11753390314434 0.33244473221012 22.990 > 32 33 Na 0.42016528742467 0.88246609685566 0.66755526778988 22.990 > 33 34 Na 0.57983471257533 0.38246609685566 0.83244473221012 22.990 > 34 35 Na 0.92576065762675 0.44666002767256 0.37456619700802 22.990 > 35 36 Na 0.07423934237325 0.94666002767256 0.12543380299198 22.990 > 36 *37 Na 0.17412844602822 0.05746591010617 0.76440252352328 22.990 > 37 38 Na 0.82587155397178 0.55746591010616 0.73559747647672 22.990 > 38 39 Na 0.82587155397178 0.94253408989384 0.23559747647672 22.990 > 39 40 Na 0.17412844602822 0.44253408989384 0.26440252352328 22.990 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 10.593502020000001 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): *1 Be 0.26112445143386 0.30924546528257 0.87747331449426 9.012 > 1 2 Be 0.26112445143386 0.80924546528257 0.87747331449426 9.012 > 1 3 Be 0.73887554856614 0.05924546528257 0.62252668550574 9.012 > 2 4 Be 0.73887554856614 0.55924546528257 0.62252668550574 9.012 > 2 5 Be 0.26112445143386 0.44075453471743 0.37747331449426 9.012 > 3 6 Be 0.26112445143386 0.94075453471743 0.37747331449426 9.012 > 3 7 Be 0.73887554856614 0.19075453471744 0.12252668550574 9.012 > 4 8 Be 0.73887554856614 0.69075453471743 0.12252668550574 9.012 > 4 *9 Be 0.09034082892732 0.27127747962571 0.96134297000367 9.012 > 5 10 Be 0.09034082892732 0.77127747962571 0.96134297000367 9.012 > 5 11 Be 0.90965917107268 0.02127747962571 0.53865702999633 9.012 > 6 12 Be 0.90965917107268 0.52127747962571 0.53865702999633 9.012 > 6 13 Be 0.90965917107268 0.22872252037429 0.03865702999633 9.012 > 7 14 Be 0.90965917107268 0.72872252037429 0.03865702999633 9.012 > 7 15 Be 0.09034082892732 0.47872252037429 0.46134297000367 9.012 > 8 16 Be 0.09034082892732 0.97872252037429 0.46134297000367 9.012 > 8 *17 O 0.75319816882941 0.11277179633687 0.02205431251185 15.999 > 9 18 O 0.75319816882941 0.61277179633687 0.02205431251185 15.999 > 9 19 O 0.24680183117059 0.36277179633687 0.47794568748815 15.999 > 10 20 O 0.24680183117059 0.86277179633687 0.47794568748815 15.999 > 10 21 O 0.75319816882941 0.13722820366313 0.52205431251185 15.999 > 11 22 O 0.75319816882941 0.63722820366313 0.52205431251185 15.999 > 11 23 O 0.24680183117059 0.38722820366313 0.97794568748815 15.999 > 12 24 O 0.24680183117059 0.88722820366313 0.97794568748815 15.999 > 12 *25 O 0.87255143759471 0.44215179902545 0.64095136637456 15.999 > 13 26 O 0.87255143759471 0.94215179902545 0.64095136637456 15.999 > 13 27 O 0.12744856240529 0.19215179902545 0.85904863362544 15.999 > 14 28 O 0.12744856240529 0.69215179902545 0.85904863362544 15.999 > 14 29 O 0.87255143759471 0.30784820097455 0.14095136637456 15.999 > 15 30 O 0.87255143759471 0.80784820097455 0.14095136637456 15.999 > 15 31 O 0.12744856240529 0.05784820097455 0.35904863362544 15.999 > 16 32 O 0.12744856240529 0.55784820097455 0.35904863362544 15.999 > 16 *33 O 0.36217018870951 0.34672430656886 0.80617057892808 15.999 > 17 34 O 0.36217018870951 0.84672430656886 0.80617057892808 15.999 > 17 35 O 0.63782981129049 0.09672430656886 0.69382942107192 15.999 > 18 36 O 0.63782981129049 0.59672430656886 0.69382942107192 15.999 > 18 37 O 0.63782981129049 0.15327569343114 0.19382942107192 15.999 > 19 38 O 0.63782981129049 0.65327569343114 0.19382942107192 15.999 > 19 39 O 0.36217018870951 0.40327569343114 0.30617057892808 15.999 > 20 40 O 0.36217018870951 0.90327569343114 0.30617057892808 15.999 > 20 *41 O 0.86900062889585 0.43346196960421 0.42304349176017 15.999 > 21 42 O 0.86900062889585 0.93346196960421 0.42304349176017 15.999 > 21 43 O 0.13099937110415 0.18346196960421 0.07695650823983 15.999 > 22 44 O 0.13099937110415 0.68346196960421 0.07695650823983 15.999 > 22 45 O 0.13099937110415 0.06653803039579 0.57695650823983 15.999 > 23 46 O 0.13099937110415 0.56653803039579 0.57695650823983 15.999 > 23 47 O 0.86900062889585 0.31653803039579 0.92304349176017 15.999 > 24 48 O 0.86900062889585 0.81653803039579 0.92304349176017 15.999 > 24 *49 Na 0.07423934237325 0.27666998616372 0.62543380299198 22.990 > 25 50 Na 0.07423934237325 0.77666998616372 0.62543380299198 22.990 > 25 51 Na 0.92576065762675 0.02666998616372 0.87456619700802 22.990 > 26 52 Na 0.92576065762675 0.52666998616372 0.87456619700802 22.990 > 26 *53 Na 0.64553679896917 0.41596810351131 0.96595661235857 22.990 > 27 54 Na 0.64553679896917 0.91596810351131 0.96595661235857 22.990 > 27 55 Na 0.35446320103083 0.16596810351131 0.53404338764143 22.990 > 28 56 Na 0.35446320103083 0.66596810351131 0.53404338764143 22.990 > 28 57 Na 0.64553679896917 0.33403189648869 0.46595661235857 22.990 > 29 58 Na 0.64553679896917 0.83403189648869 0.46595661235857 22.990 > 29 59 Na 0.35446320103083 0.08403189648869 0.03404338764143 22.990 > 30 60 Na 0.35446320103083 0.58403189648869 0.03404338764143 22.990 > 30 *61 Na 0.42016528742467 0.30876695157217 0.16755526778988 22.990 > 31 62 Na 0.42016528742467 0.80876695157217 0.16755526778988 22.990 > 31 63 Na 0.57983471257533 0.05876695157217 0.33244473221012 22.990 > 32 64 Na 0.57983471257533 0.55876695157217 0.33244473221012 22.990 > 32 65 Na 0.42016528742467 0.44123304842783 0.66755526778988 22.990 > 33 66 Na 0.42016528742467 0.94123304842783 0.66755526778988 22.990 > 33 67 Na 0.57983471257533 0.19123304842783 0.83244473221012 22.990 > 34 68 Na 0.57983471257533 0.69123304842783 0.83244473221012 22.990 > 34 69 Na 0.92576065762675 0.22333001383628 0.37456619700802 22.990 > 35 70 Na 0.92576065762675 0.72333001383628 0.37456619700802 22.990 > 35 71 Na 0.07423934237325 0.47333001383628 0.12543380299198 22.990 > 36 72 Na 0.07423934237325 0.97333001383628 0.12543380299198 22.990 > 36 *73 Na 0.17412844602822 0.02873295505308 0.76440252352328 22.990 > 37 74 Na 0.17412844602822 0.52873295505308 0.76440252352328 22.990 > 37 75 Na 0.82587155397178 0.27873295505308 0.73559747647672 22.990 > 38 76 Na 0.82587155397178 0.77873295505308 0.73559747647672 22.990 > 38 77 Na 0.82587155397178 0.47126704494692 0.23559747647672 22.990 > 39 78 Na 0.82587155397178 0.97126704494692 0.23559747647672 22.990 > 39 79 Na 0.17412844602822 0.22126704494692 0.26440252352328 22.990 > 40 80 Na 0.17412844602822 0.72126704494692 0.26440252352328 22.990 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7467056 0.0000000 -0.0196456 0.0000000 2.7090956 0.0000000 -0.0196437 0.0000000 2.7222950 -------------------------- Born effective charges -------------------------- 1 Be 1.4947190 0.3535012 -0.5491203 0.3400341 1.1555215 0.1640975 -0.5278703 0.2120133 1.1524787 2 Be 1.4947190 -0.3535012 -0.5491203 -0.3400341 1.1555215 -0.1640975 -0.5278703 -0.2120133 1.1524787 3 Be 1.4947190 -0.3535012 -0.5491203 -0.3400341 1.1555215 -0.1640975 -0.5278703 -0.2120133 1.1524787 4 Be 1.4947190 0.3535012 -0.5491203 0.3400341 1.1555215 0.1640975 -0.5278703 0.2120133 1.1524787 5 Be 1.8308967 0.1805753 -0.3571666 0.1249864 1.2475512 -0.1283820 -0.3259513 -0.0837245 1.3389641 6 Be 1.8308967 -0.1805753 -0.3571666 -0.1249864 1.2475512 0.1283820 -0.3259513 0.0837245 1.3389641 7 Be 1.8308967 0.1805753 -0.3571666 0.1249864 1.2475512 -0.1283820 -0.3259513 -0.0837245 1.3389641 8 Be 1.8308967 -0.1805753 -0.3571666 -0.1249864 1.2475512 0.1283820 -0.3259513 0.0837245 1.3389641 9 O -1.7458253 -0.2037708 0.2236509 -0.1375441 -1.7647821 -0.2263176 0.2520731 -0.2581708 -1.6001317 10 O -1.7458253 0.2037708 0.2236509 0.1375441 -1.7647821 0.2263176 0.2520731 0.2581708 -1.6001317 11 O -1.7458253 0.2037708 0.2236509 0.1375441 -1.7647821 0.2263176 0.2520731 0.2581708 -1.6001317 12 O -1.7458253 -0.2037708 0.2236509 -0.1375441 -1.7647821 -0.2263176 0.2520731 -0.2581708 -1.6001317 13 O -1.6544869 0.1719322 0.2362774 0.2270070 -1.7732366 0.2589494 0.2130228 0.2958830 -1.5967993 14 O -1.6544869 -0.1719322 0.2362774 -0.2270070 -1.7732366 -0.2589494 0.2130228 -0.2958830 -1.5967993 15 O -1.6544869 -0.1719322 0.2362774 -0.2270070 -1.7732366 -0.2589494 0.2130228 -0.2958830 -1.5967993 16 O -1.6544869 0.1719322 0.2362774 0.2270070 -1.7732366 0.2589494 0.2130228 0.2958830 -1.5967993 17 O -1.9274649 -0.1608288 0.2858156 -0.1049316 -1.4396645 0.1221869 0.2360540 0.1091597 -1.6587059 18 O -1.9274649 0.1608288 0.2858156 0.1049316 -1.4396645 -0.1221869 0.2360540 -0.1091597 -1.6587059 19 O -1.9274649 -0.1608288 0.2858156 -0.1049316 -1.4396645 0.1221869 0.2360540 0.1091597 -1.6587059 20 O -1.9274649 0.1608288 0.2858156 0.1049316 -1.4396645 -0.1221869 0.2360540 -0.1091597 -1.6587059 21 O -1.9462929 -0.0172699 0.0967368 -0.0324537 -1.5219166 -0.3050818 0.0820061 -0.2911204 -1.7103698 22 O -1.9462929 0.0172699 0.0967368 0.0324537 -1.5219166 0.3050818 0.0820061 0.2911204 -1.7103698 23 O -1.9462929 -0.0172699 0.0967368 -0.0324537 -1.5219166 -0.3050818 0.0820061 -0.2911204 -1.7103698 24 O -1.9462929 0.0172699 0.0967368 0.0324537 -1.5219166 0.3050818 0.0820061 0.2911204 -1.7103698 25 Na 0.9808936 0.0379924 -0.0351011 0.0316303 1.1644791 -0.0172664 -0.0457346 -0.0150108 1.0746468 26 Na 0.9808936 -0.0379924 -0.0351011 -0.0316303 1.1644791 0.0172664 -0.0457346 0.0150108 1.0746468 27 Na 1.0275076 -0.0392777 0.0401600 -0.0212644 1.0262783 -0.0014793 0.0611083 -0.0109303 0.9203004 28 Na 1.0275076 0.0392777 0.0401600 0.0212644 1.0262783 0.0014793 0.0611083 0.0109303 0.9203004 29 Na 1.0275076 0.0392777 0.0401600 0.0212644 1.0262783 0.0014793 0.0611083 0.0109303 0.9203004 30 Na 1.0275076 -0.0392777 0.0401600 -0.0212644 1.0262783 -0.0014793 0.0611083 -0.0109303 0.9203004 31 Na 1.0507726 -0.0047257 0.0371711 -0.0176692 0.9032200 0.0769404 0.0466021 0.0722207 1.0372932 32 Na 1.0507726 0.0047257 0.0371711 0.0176692 0.9032200 -0.0769404 0.0466021 -0.0722207 1.0372932 33 Na 1.0507726 0.0047257 0.0371711 0.0176692 0.9032200 -0.0769404 0.0466021 -0.0722207 1.0372932 34 Na 1.0507726 -0.0047257 0.0371711 -0.0176692 0.9032200 0.0769404 0.0466021 0.0722207 1.0372932 35 Na 0.9808936 0.0379924 -0.0351011 0.0316303 1.1644791 -0.0172664 -0.0457346 -0.0150108 1.0746468 36 Na 0.9808936 -0.0379924 -0.0351011 -0.0316303 1.1644791 0.0172664 -0.0457346 0.0150108 1.0746468 37 Na 0.8892805 -0.0173017 0.0215761 -0.0176385 1.0025497 -0.0256268 0.0086899 -0.0441303 1.0423235 38 Na 0.8892805 0.0173017 0.0215761 0.0176385 1.0025497 0.0256268 0.0086899 0.0441303 1.0423235 39 Na 0.8892805 -0.0173017 0.0215761 -0.0176385 1.0025497 -0.0256268 0.0086899 -0.0441303 1.0423235 40 Na 0.8892805 0.0173017 0.0215761 0.0176385 1.0025497 0.0256268 0.0086899 0.0441303 1.0423235 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 1.861 Solver_block: 200 / 1200 - Time: 1.159 Solver_block: 300 / 1200 - Time: 0.708 Solver_block: 400 / 1200 - Time: 0.681 Solver_block: 500 / 1200 - Time: 1.056 Solver_block: 600 / 1200 - Time: 1.862 Solver_block: 700 / 1200 - Time: 0.730 Solver_block: 800 / 1200 - Time: 0.719 Solver_block: 900 / 1200 - Time: 0.720 Solver_block: 1000 / 1200 - Time: 0.866 Solver_block: 1100 / 1200 - Time: 1.004 Solver_block: 1200 / 1200 - Time: 1.505 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.248 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 281 eigenvectors found. (1) Complementary block size: 39 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 19), data: (800, 39) @ (39, 19) |-- (300, 281), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:23:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:23:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296751010000000 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): 1 Be 0.26112445143386 0.61849093056513 0.87747331449426 9.012 2 Be 0.73887554856614 0.11849093056513 0.62252668550574 9.012 3 Be 0.26112445143386 0.88150906943487 0.37747331449426 9.012 4 Be 0.73887554856614 0.38150906943487 0.12252668550574 9.012 5 Be 0.09034082892732 0.54255495925141 0.96134297000367 9.012 6 Be 0.90965917107268 0.04255495925141 0.53865702999633 9.012 7 Be 0.90965917107268 0.45744504074859 0.03865702999633 9.012 8 Be 0.09034082892732 0.95744504074859 0.46134297000367 9.012 9 O 0.75319816882941 0.22554359267374 0.02205431251185 15.999 10 O 0.24680183117059 0.72554359267374 0.47794568748815 15.999 11 O 0.75319816882941 0.27445640732626 0.52205431251185 15.999 12 O 0.24680183117059 0.77445640732626 0.97794568748815 15.999 13 O 0.87255143759471 0.88430359805090 0.64095136637456 15.999 14 O 0.12744856240529 0.38430359805090 0.85904863362544 15.999 15 O 0.87255143759471 0.61569640194910 0.14095136637456 15.999 16 O 0.12744856240529 0.11569640194910 0.35904863362544 15.999 17 O 0.36217018870951 0.69344861313771 0.80617057892808 15.999 18 O 0.63782981129049 0.19344861313771 0.69382942107192 15.999 19 O 0.63782981129049 0.30655138686229 0.19382942107192 15.999 20 O 0.36217018870951 0.80655138686229 0.30617057892808 15.999 21 O 0.86900062889585 0.86692393920842 0.42304349176017 15.999 22 O 0.13099937110415 0.36692393920842 0.07695650823983 15.999 23 O 0.13099937110415 0.13307606079158 0.57695650823983 15.999 24 O 0.86900062889585 0.63307606079158 0.92304349176017 15.999 25 Na 0.07423934237325 0.55333997232744 0.62543380299198 22.990 26 Na 0.92576065762675 0.05333997232744 0.87456619700802 22.990 27 Na 0.64553679896917 0.83193620702263 0.96595661235857 22.990 28 Na 0.35446320103083 0.33193620702262 0.53404338764143 22.990 29 Na 0.64553679896917 0.66806379297737 0.46595661235857 22.990 30 Na 0.35446320103083 0.16806379297738 0.03404338764143 22.990 31 Na 0.42016528742467 0.61753390314434 0.16755526778988 22.990 32 Na 0.57983471257533 0.11753390314434 0.33244473221012 22.990 33 Na 0.42016528742467 0.88246609685566 0.66755526778988 22.990 34 Na 0.57983471257533 0.38246609685566 0.83244473221012 22.990 35 Na 0.92576065762675 0.44666002767256 0.37456619700802 22.990 36 Na 0.07423934237325 0.94666002767256 0.12543380299198 22.990 37 Na 0.17412844602822 0.05746591010617 0.76440252352328 22.990 38 Na 0.82587155397178 0.55746591010616 0.73559747647672 22.990 39 Na 0.82587155397178 0.94253408989384 0.23559747647672 22.990 40 Na 0.17412844602822 0.44253408989384 0.26440252352328 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 10.593502020000001 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): 1 Be 0.26112445143386 0.30924546528257 0.87747331449426 9.012 > 1 2 Be 0.26112445143386 0.80924546528257 0.87747331449426 9.012 > 1 3 Be 0.73887554856614 0.05924546528257 0.62252668550574 9.012 > 3 4 Be 0.73887554856614 0.55924546528257 0.62252668550574 9.012 > 3 5 Be 0.26112445143386 0.44075453471743 0.37747331449426 9.012 > 5 6 Be 0.26112445143386 0.94075453471743 0.37747331449426 9.012 > 5 7 Be 0.73887554856614 0.19075453471744 0.12252668550574 9.012 > 7 8 Be 0.73887554856614 0.69075453471743 0.12252668550574 9.012 > 7 9 Be 0.09034082892732 0.27127747962571 0.96134297000367 9.012 > 9 10 Be 0.09034082892732 0.77127747962571 0.96134297000367 9.012 > 9 11 Be 0.90965917107268 0.02127747962571 0.53865702999633 9.012 > 11 12 Be 0.90965917107268 0.52127747962571 0.53865702999633 9.012 > 11 13 Be 0.90965917107268 0.22872252037429 0.03865702999633 9.012 > 13 14 Be 0.90965917107268 0.72872252037429 0.03865702999633 9.012 > 13 15 Be 0.09034082892732 0.47872252037429 0.46134297000367 9.012 > 15 16 Be 0.09034082892732 0.97872252037429 0.46134297000367 9.012 > 15 17 O 0.75319816882941 0.11277179633687 0.02205431251185 15.999 > 17 18 O 0.75319816882941 0.61277179633687 0.02205431251185 15.999 > 17 19 O 0.24680183117059 0.36277179633687 0.47794568748815 15.999 > 19 20 O 0.24680183117059 0.86277179633687 0.47794568748815 15.999 > 19 21 O 0.75319816882941 0.13722820366313 0.52205431251185 15.999 > 21 22 O 0.75319816882941 0.63722820366313 0.52205431251185 15.999 > 21 23 O 0.24680183117059 0.38722820366313 0.97794568748815 15.999 > 23 24 O 0.24680183117059 0.88722820366313 0.97794568748815 15.999 > 23 25 O 0.87255143759471 0.44215179902545 0.64095136637456 15.999 > 25 26 O 0.87255143759471 0.94215179902545 0.64095136637456 15.999 > 25 27 O 0.12744856240529 0.19215179902545 0.85904863362544 15.999 > 27 28 O 0.12744856240529 0.69215179902545 0.85904863362544 15.999 > 27 29 O 0.87255143759471 0.30784820097455 0.14095136637456 15.999 > 29 30 O 0.87255143759471 0.80784820097455 0.14095136637456 15.999 > 29 31 O 0.12744856240529 0.05784820097455 0.35904863362544 15.999 > 31 32 O 0.12744856240529 0.55784820097455 0.35904863362544 15.999 > 31 33 O 0.36217018870951 0.34672430656886 0.80617057892808 15.999 > 33 34 O 0.36217018870951 0.84672430656886 0.80617057892808 15.999 > 33 35 O 0.63782981129049 0.09672430656886 0.69382942107192 15.999 > 35 36 O 0.63782981129049 0.59672430656886 0.69382942107192 15.999 > 35 37 O 0.63782981129049 0.15327569343114 0.19382942107192 15.999 > 37 38 O 0.63782981129049 0.65327569343114 0.19382942107192 15.999 > 37 39 O 0.36217018870951 0.40327569343114 0.30617057892808 15.999 > 39 40 O 0.36217018870951 0.90327569343114 0.30617057892808 15.999 > 39 41 O 0.86900062889585 0.43346196960421 0.42304349176017 15.999 > 41 42 O 0.86900062889585 0.93346196960421 0.42304349176017 15.999 > 41 43 O 0.13099937110415 0.18346196960421 0.07695650823983 15.999 > 43 44 O 0.13099937110415 0.68346196960421 0.07695650823983 15.999 > 43 45 O 0.13099937110415 0.06653803039579 0.57695650823983 15.999 > 45 46 O 0.13099937110415 0.56653803039579 0.57695650823983 15.999 > 45 47 O 0.86900062889585 0.31653803039579 0.92304349176017 15.999 > 47 48 O 0.86900062889585 0.81653803039579 0.92304349176017 15.999 > 47 49 Na 0.07423934237325 0.27666998616372 0.62543380299198 22.990 > 49 50 Na 0.07423934237325 0.77666998616372 0.62543380299198 22.990 > 49 51 Na 0.92576065762675 0.02666998616372 0.87456619700802 22.990 > 51 52 Na 0.92576065762675 0.52666998616372 0.87456619700802 22.990 > 51 53 Na 0.64553679896917 0.41596810351131 0.96595661235857 22.990 > 53 54 Na 0.64553679896917 0.91596810351131 0.96595661235857 22.990 > 53 55 Na 0.35446320103083 0.16596810351131 0.53404338764143 22.990 > 55 56 Na 0.35446320103083 0.66596810351131 0.53404338764143 22.990 > 55 57 Na 0.64553679896917 0.33403189648869 0.46595661235857 22.990 > 57 58 Na 0.64553679896917 0.83403189648869 0.46595661235857 22.990 > 57 59 Na 0.35446320103083 0.08403189648869 0.03404338764143 22.990 > 59 60 Na 0.35446320103083 0.58403189648869 0.03404338764143 22.990 > 59 61 Na 0.42016528742467 0.30876695157217 0.16755526778988 22.990 > 61 62 Na 0.42016528742467 0.80876695157217 0.16755526778988 22.990 > 61 63 Na 0.57983471257533 0.05876695157217 0.33244473221012 22.990 > 63 64 Na 0.57983471257533 0.55876695157217 0.33244473221012 22.990 > 63 65 Na 0.42016528742467 0.44123304842783 0.66755526778988 22.990 > 65 66 Na 0.42016528742467 0.94123304842783 0.66755526778988 22.990 > 65 67 Na 0.57983471257533 0.19123304842783 0.83244473221012 22.990 > 67 68 Na 0.57983471257533 0.69123304842783 0.83244473221012 22.990 > 67 69 Na 0.92576065762675 0.22333001383628 0.37456619700802 22.990 > 69 70 Na 0.92576065762675 0.72333001383628 0.37456619700802 22.990 > 69 71 Na 0.07423934237325 0.47333001383628 0.12543380299198 22.990 > 71 72 Na 0.07423934237325 0.97333001383628 0.12543380299198 22.990 > 71 73 Na 0.17412844602822 0.02873295505308 0.76440252352328 22.990 > 73 74 Na 0.17412844602822 0.52873295505308 0.76440252352328 22.990 > 73 75 Na 0.82587155397178 0.27873295505308 0.73559747647672 22.990 > 75 76 Na 0.82587155397178 0.77873295505308 0.73559747647672 22.990 > 75 77 Na 0.82587155397178 0.47126704494692 0.23559747647672 22.990 > 77 78 Na 0.82587155397178 0.97126704494692 0.23559747647672 22.990 > 77 79 Na 0.17412844602822 0.22126704494692 0.26440252352328 22.990 > 79 80 Na 0.17412844602822 0.72126704494692 0.26440252352328 22.990 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7467056 0.0000000 -0.0196456 0.0000000 2.7090956 0.0000000 -0.0196437 0.0000000 2.7222950 -------------------------- Born effective charges -------------------------- 1 Be 1.4947190 0.3535012 -0.5491203 0.3400341 1.1555215 0.1640975 -0.5278703 0.2120133 1.1524787 2 Be 1.4947190 -0.3535012 -0.5491203 -0.3400341 1.1555215 -0.1640975 -0.5278703 -0.2120133 1.1524787 3 Be 1.4947190 -0.3535012 -0.5491203 -0.3400341 1.1555215 -0.1640975 -0.5278703 -0.2120133 1.1524787 4 Be 1.4947190 0.3535012 -0.5491203 0.3400341 1.1555215 0.1640975 -0.5278703 0.2120133 1.1524787 5 Be 1.8308967 0.1805753 -0.3571666 0.1249864 1.2475512 -0.1283820 -0.3259513 -0.0837245 1.3389641 6 Be 1.8308967 -0.1805753 -0.3571666 -0.1249864 1.2475512 0.1283820 -0.3259513 0.0837245 1.3389641 7 Be 1.8308967 0.1805753 -0.3571666 0.1249864 1.2475512 -0.1283820 -0.3259513 -0.0837245 1.3389641 8 Be 1.8308967 -0.1805753 -0.3571666 -0.1249864 1.2475512 0.1283820 -0.3259513 0.0837245 1.3389641 9 O -1.7458253 -0.2037708 0.2236509 -0.1375441 -1.7647821 -0.2263176 0.2520731 -0.2581708 -1.6001317 10 O -1.7458253 0.2037708 0.2236509 0.1375441 -1.7647821 0.2263176 0.2520731 0.2581708 -1.6001317 11 O -1.7458253 0.2037708 0.2236509 0.1375441 -1.7647821 0.2263176 0.2520731 0.2581708 -1.6001317 12 O -1.7458253 -0.2037708 0.2236509 -0.1375441 -1.7647821 -0.2263176 0.2520731 -0.2581708 -1.6001317 13 O -1.6544869 0.1719322 0.2362774 0.2270070 -1.7732366 0.2589494 0.2130228 0.2958830 -1.5967993 14 O -1.6544869 -0.1719322 0.2362774 -0.2270070 -1.7732366 -0.2589494 0.2130228 -0.2958830 -1.5967993 15 O -1.6544869 -0.1719322 0.2362774 -0.2270070 -1.7732366 -0.2589494 0.2130228 -0.2958830 -1.5967993 16 O -1.6544869 0.1719322 0.2362774 0.2270070 -1.7732366 0.2589494 0.2130228 0.2958830 -1.5967993 17 O -1.9274649 -0.1608288 0.2858156 -0.1049316 -1.4396645 0.1221869 0.2360540 0.1091597 -1.6587059 18 O -1.9274649 0.1608288 0.2858156 0.1049316 -1.4396645 -0.1221869 0.2360540 -0.1091597 -1.6587059 19 O -1.9274649 -0.1608288 0.2858156 -0.1049316 -1.4396645 0.1221869 0.2360540 0.1091597 -1.6587059 20 O -1.9274649 0.1608288 0.2858156 0.1049316 -1.4396645 -0.1221869 0.2360540 -0.1091597 -1.6587059 21 O -1.9462929 -0.0172699 0.0967368 -0.0324537 -1.5219166 -0.3050818 0.0820061 -0.2911204 -1.7103698 22 O -1.9462929 0.0172699 0.0967368 0.0324537 -1.5219166 0.3050818 0.0820061 0.2911204 -1.7103698 23 O -1.9462929 -0.0172699 0.0967368 -0.0324537 -1.5219166 -0.3050818 0.0820061 -0.2911204 -1.7103698 24 O -1.9462929 0.0172699 0.0967368 0.0324537 -1.5219166 0.3050818 0.0820061 0.2911204 -1.7103698 25 Na 0.9808936 0.0379924 -0.0351011 0.0316303 1.1644791 -0.0172664 -0.0457346 -0.0150108 1.0746468 26 Na 0.9808936 -0.0379924 -0.0351011 -0.0316303 1.1644791 0.0172664 -0.0457346 0.0150108 1.0746468 27 Na 1.0275076 -0.0392777 0.0401600 -0.0212644 1.0262783 -0.0014793 0.0611083 -0.0109303 0.9203004 28 Na 1.0275076 0.0392777 0.0401600 0.0212644 1.0262783 0.0014793 0.0611083 0.0109303 0.9203004 29 Na 1.0275076 0.0392777 0.0401600 0.0212644 1.0262783 0.0014793 0.0611083 0.0109303 0.9203004 30 Na 1.0275076 -0.0392777 0.0401600 -0.0212644 1.0262783 -0.0014793 0.0611083 -0.0109303 0.9203004 31 Na 1.0507726 -0.0047257 0.0371711 -0.0176692 0.9032200 0.0769404 0.0466021 0.0722207 1.0372932 32 Na 1.0507726 0.0047257 0.0371711 0.0176692 0.9032200 -0.0769404 0.0466021 -0.0722207 1.0372932 33 Na 1.0507726 0.0047257 0.0371711 0.0176692 0.9032200 -0.0769404 0.0466021 -0.0722207 1.0372932 34 Na 1.0507726 -0.0047257 0.0371711 -0.0176692 0.9032200 0.0769404 0.0466021 0.0722207 1.0372932 35 Na 0.9808936 0.0379924 -0.0351011 0.0316303 1.1644791 -0.0172664 -0.0457346 -0.0150108 1.0746468 36 Na 0.9808936 -0.0379924 -0.0351011 -0.0316303 1.1644791 0.0172664 -0.0457346 0.0150108 1.0746468 37 Na 0.8892805 -0.0173017 0.0215761 -0.0176385 1.0025497 -0.0256268 0.0086899 -0.0441303 1.0423235 38 Na 0.8892805 0.0173017 0.0215761 0.0176385 1.0025497 0.0256268 0.0086899 0.0441303 1.0423235 39 Na 0.8892805 -0.0173017 0.0215761 -0.0176385 1.0025497 -0.0256268 0.0086899 -0.0441303 1.0423235 40 Na 0.8892805 0.0173017 0.0215761 0.0176385 1.0025497 0.0256268 0.0086899 0.0441303 1.0423235 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0047 0.0000 0.0088] [ 0.0047 0.0000 -0.0088] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:24:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:24:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 5.296751010000000 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): 1 Be 0.26112445143386 0.61849093056513 0.87747331449426 9.012 2 Be 0.73887554856614 0.11849093056513 0.62252668550574 9.012 3 Be 0.26112445143386 0.88150906943487 0.37747331449426 9.012 4 Be 0.73887554856614 0.38150906943487 0.12252668550574 9.012 5 Be 0.09034082892732 0.54255495925141 0.96134297000367 9.012 6 Be 0.90965917107268 0.04255495925141 0.53865702999633 9.012 7 Be 0.90965917107268 0.45744504074859 0.03865702999633 9.012 8 Be 0.09034082892732 0.95744504074859 0.46134297000367 9.012 9 O 0.75319816882941 0.22554359267374 0.02205431251185 15.999 10 O 0.24680183117059 0.72554359267374 0.47794568748815 15.999 11 O 0.75319816882941 0.27445640732626 0.52205431251185 15.999 12 O 0.24680183117059 0.77445640732626 0.97794568748815 15.999 13 O 0.87255143759471 0.88430359805090 0.64095136637456 15.999 14 O 0.12744856240529 0.38430359805090 0.85904863362544 15.999 15 O 0.87255143759471 0.61569640194910 0.14095136637456 15.999 16 O 0.12744856240529 0.11569640194910 0.35904863362544 15.999 17 O 0.36217018870951 0.69344861313771 0.80617057892808 15.999 18 O 0.63782981129049 0.19344861313771 0.69382942107192 15.999 19 O 0.63782981129049 0.30655138686229 0.19382942107192 15.999 20 O 0.36217018870951 0.80655138686229 0.30617057892808 15.999 21 O 0.86900062889585 0.86692393920842 0.42304349176017 15.999 22 O 0.13099937110415 0.36692393920842 0.07695650823983 15.999 23 O 0.13099937110415 0.13307606079158 0.57695650823983 15.999 24 O 0.86900062889585 0.63307606079158 0.92304349176017 15.999 25 Na 0.07423934237325 0.55333997232744 0.62543380299198 22.990 26 Na 0.92576065762675 0.05333997232744 0.87456619700802 22.990 27 Na 0.64553679896917 0.83193620702263 0.96595661235857 22.990 28 Na 0.35446320103083 0.33193620702262 0.53404338764143 22.990 29 Na 0.64553679896917 0.66806379297737 0.46595661235857 22.990 30 Na 0.35446320103083 0.16806379297738 0.03404338764143 22.990 31 Na 0.42016528742467 0.61753390314434 0.16755526778988 22.990 32 Na 0.57983471257533 0.11753390314434 0.33244473221012 22.990 33 Na 0.42016528742467 0.88246609685566 0.66755526778988 22.990 34 Na 0.57983471257533 0.38246609685566 0.83244473221012 22.990 35 Na 0.92576065762675 0.44666002767256 0.37456619700802 22.990 36 Na 0.07423934237325 0.94666002767256 0.12543380299198 22.990 37 Na 0.17412844602822 0.05746591010617 0.76440252352328 22.990 38 Na 0.82587155397178 0.55746591010616 0.73559747647672 22.990 39 Na 0.82587155397178 0.94253408989384 0.23559747647672 22.990 40 Na 0.17412844602822 0.44253408989384 0.26440252352328 22.990 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.864714880101058 0.000000000000000 0.000000000000000 b 0.000000000000000 10.593502020000001 0.000000000000000 c -6.097077626633067 0.000000000000000 11.318039721143812 Atomic positions (fractional): 1 Be 0.26112445143386 0.30924546528257 0.87747331449426 9.012 > 1 2 Be 0.26112445143386 0.80924546528257 0.87747331449426 9.012 > 1 3 Be 0.73887554856614 0.05924546528257 0.62252668550574 9.012 > 3 4 Be 0.73887554856614 0.55924546528257 0.62252668550574 9.012 > 3 5 Be 0.26112445143386 0.44075453471743 0.37747331449426 9.012 > 5 6 Be 0.26112445143386 0.94075453471743 0.37747331449426 9.012 > 5 7 Be 0.73887554856614 0.19075453471744 0.12252668550574 9.012 > 7 8 Be 0.73887554856614 0.69075453471743 0.12252668550574 9.012 > 7 9 Be 0.09034082892732 0.27127747962571 0.96134297000367 9.012 > 9 10 Be 0.09034082892732 0.77127747962571 0.96134297000367 9.012 > 9 11 Be 0.90965917107268 0.02127747962571 0.53865702999633 9.012 > 11 12 Be 0.90965917107268 0.52127747962571 0.53865702999633 9.012 > 11 13 Be 0.90965917107268 0.22872252037429 0.03865702999633 9.012 > 13 14 Be 0.90965917107268 0.72872252037429 0.03865702999633 9.012 > 13 15 Be 0.09034082892732 0.47872252037429 0.46134297000367 9.012 > 15 16 Be 0.09034082892732 0.97872252037429 0.46134297000367 9.012 > 15 17 O 0.75319816882941 0.11277179633687 0.02205431251185 15.999 > 17 18 O 0.75319816882941 0.61277179633687 0.02205431251185 15.999 > 17 19 O 0.24680183117059 0.36277179633687 0.47794568748815 15.999 > 19 20 O 0.24680183117059 0.86277179633687 0.47794568748815 15.999 > 19 21 O 0.75319816882941 0.13722820366313 0.52205431251185 15.999 > 21 22 O 0.75319816882941 0.63722820366313 0.52205431251185 15.999 > 21 23 O 0.24680183117059 0.38722820366313 0.97794568748815 15.999 > 23 24 O 0.24680183117059 0.88722820366313 0.97794568748815 15.999 > 23 25 O 0.87255143759471 0.44215179902545 0.64095136637456 15.999 > 25 26 O 0.87255143759471 0.94215179902545 0.64095136637456 15.999 > 25 27 O 0.12744856240529 0.19215179902545 0.85904863362544 15.999 > 27 28 O 0.12744856240529 0.69215179902545 0.85904863362544 15.999 > 27 29 O 0.87255143759471 0.30784820097455 0.14095136637456 15.999 > 29 30 O 0.87255143759471 0.80784820097455 0.14095136637456 15.999 > 29 31 O 0.12744856240529 0.05784820097455 0.35904863362544 15.999 > 31 32 O 0.12744856240529 0.55784820097455 0.35904863362544 15.999 > 31 33 O 0.36217018870951 0.34672430656886 0.80617057892808 15.999 > 33 34 O 0.36217018870951 0.84672430656886 0.80617057892808 15.999 > 33 35 O 0.63782981129049 0.09672430656886 0.69382942107192 15.999 > 35 36 O 0.63782981129049 0.59672430656886 0.69382942107192 15.999 > 35 37 O 0.63782981129049 0.15327569343114 0.19382942107192 15.999 > 37 38 O 0.63782981129049 0.65327569343114 0.19382942107192 15.999 > 37 39 O 0.36217018870951 0.40327569343114 0.30617057892808 15.999 > 39 40 O 0.36217018870951 0.90327569343114 0.30617057892808 15.999 > 39 41 O 0.86900062889585 0.43346196960421 0.42304349176017 15.999 > 41 42 O 0.86900062889585 0.93346196960421 0.42304349176017 15.999 > 41 43 O 0.13099937110415 0.18346196960421 0.07695650823983 15.999 > 43 44 O 0.13099937110415 0.68346196960421 0.07695650823983 15.999 > 43 45 O 0.13099937110415 0.06653803039579 0.57695650823983 15.999 > 45 46 O 0.13099937110415 0.56653803039579 0.57695650823983 15.999 > 45 47 O 0.86900062889585 0.31653803039579 0.92304349176017 15.999 > 47 48 O 0.86900062889585 0.81653803039579 0.92304349176017 15.999 > 47 49 Na 0.07423934237325 0.27666998616372 0.62543380299198 22.990 > 49 50 Na 0.07423934237325 0.77666998616372 0.62543380299198 22.990 > 49 51 Na 0.92576065762675 0.02666998616372 0.87456619700802 22.990 > 51 52 Na 0.92576065762675 0.52666998616372 0.87456619700802 22.990 > 51 53 Na 0.64553679896917 0.41596810351131 0.96595661235857 22.990 > 53 54 Na 0.64553679896917 0.91596810351131 0.96595661235857 22.990 > 53 55 Na 0.35446320103083 0.16596810351131 0.53404338764143 22.990 > 55 56 Na 0.35446320103083 0.66596810351131 0.53404338764143 22.990 > 55 57 Na 0.64553679896917 0.33403189648869 0.46595661235857 22.990 > 57 58 Na 0.64553679896917 0.83403189648869 0.46595661235857 22.990 > 57 59 Na 0.35446320103083 0.08403189648869 0.03404338764143 22.990 > 59 60 Na 0.35446320103083 0.58403189648869 0.03404338764143 22.990 > 59 61 Na 0.42016528742467 0.30876695157217 0.16755526778988 22.990 > 61 62 Na 0.42016528742467 0.80876695157217 0.16755526778988 22.990 > 61 63 Na 0.57983471257533 0.05876695157217 0.33244473221012 22.990 > 63 64 Na 0.57983471257533 0.55876695157217 0.33244473221012 22.990 > 63 65 Na 0.42016528742467 0.44123304842783 0.66755526778988 22.990 > 65 66 Na 0.42016528742467 0.94123304842783 0.66755526778988 22.990 > 65 67 Na 0.57983471257533 0.19123304842783 0.83244473221012 22.990 > 67 68 Na 0.57983471257533 0.69123304842783 0.83244473221012 22.990 > 67 69 Na 0.92576065762675 0.22333001383628 0.37456619700802 22.990 > 69 70 Na 0.92576065762675 0.72333001383628 0.37456619700802 22.990 > 69 71 Na 0.07423934237325 0.47333001383628 0.12543380299198 22.990 > 71 72 Na 0.07423934237325 0.97333001383628 0.12543380299198 22.990 > 71 73 Na 0.17412844602822 0.02873295505308 0.76440252352328 22.990 > 73 74 Na 0.17412844602822 0.52873295505308 0.76440252352328 22.990 > 73 75 Na 0.82587155397178 0.27873295505308 0.73559747647672 22.990 > 75 76 Na 0.82587155397178 0.77873295505308 0.73559747647672 22.990 > 75 77 Na 0.82587155397178 0.47126704494692 0.23559747647672 22.990 > 77 78 Na 0.82587155397178 0.97126704494692 0.23559747647672 22.990 > 77 79 Na 0.17412844602822 0.22126704494692 0.26440252352328 22.990 > 79 80 Na 0.17412844602822 0.72126704494692 0.26440252352328 22.990 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7467056 0.0000000 -0.0196456 0.0000000 2.7090956 0.0000000 -0.0196437 0.0000000 2.7222950 -------------------------- Born effective charges -------------------------- 1 Be 1.4947190 0.3535012 -0.5491203 0.3400341 1.1555215 0.1640975 -0.5278703 0.2120133 1.1524787 2 Be 1.4947190 -0.3535012 -0.5491203 -0.3400341 1.1555215 -0.1640975 -0.5278703 -0.2120133 1.1524787 3 Be 1.4947190 -0.3535012 -0.5491203 -0.3400341 1.1555215 -0.1640975 -0.5278703 -0.2120133 1.1524787 4 Be 1.4947190 0.3535012 -0.5491203 0.3400341 1.1555215 0.1640975 -0.5278703 0.2120133 1.1524787 5 Be 1.8308967 0.1805753 -0.3571666 0.1249864 1.2475512 -0.1283820 -0.3259513 -0.0837245 1.3389641 6 Be 1.8308967 -0.1805753 -0.3571666 -0.1249864 1.2475512 0.1283820 -0.3259513 0.0837245 1.3389641 7 Be 1.8308967 0.1805753 -0.3571666 0.1249864 1.2475512 -0.1283820 -0.3259513 -0.0837245 1.3389641 8 Be 1.8308967 -0.1805753 -0.3571666 -0.1249864 1.2475512 0.1283820 -0.3259513 0.0837245 1.3389641 9 O -1.7458253 -0.2037708 0.2236509 -0.1375441 -1.7647821 -0.2263176 0.2520731 -0.2581708 -1.6001317 10 O -1.7458253 0.2037708 0.2236509 0.1375441 -1.7647821 0.2263176 0.2520731 0.2581708 -1.6001317 11 O -1.7458253 0.2037708 0.2236509 0.1375441 -1.7647821 0.2263176 0.2520731 0.2581708 -1.6001317 12 O -1.7458253 -0.2037708 0.2236509 -0.1375441 -1.7647821 -0.2263176 0.2520731 -0.2581708 -1.6001317 13 O -1.6544869 0.1719322 0.2362774 0.2270070 -1.7732366 0.2589494 0.2130228 0.2958830 -1.5967993 14 O -1.6544869 -0.1719322 0.2362774 -0.2270070 -1.7732366 -0.2589494 0.2130228 -0.2958830 -1.5967993 15 O -1.6544869 -0.1719322 0.2362774 -0.2270070 -1.7732366 -0.2589494 0.2130228 -0.2958830 -1.5967993 16 O -1.6544869 0.1719322 0.2362774 0.2270070 -1.7732366 0.2589494 0.2130228 0.2958830 -1.5967993 17 O -1.9274649 -0.1608288 0.2858156 -0.1049316 -1.4396645 0.1221869 0.2360540 0.1091597 -1.6587059 18 O -1.9274649 0.1608288 0.2858156 0.1049316 -1.4396645 -0.1221869 0.2360540 -0.1091597 -1.6587059 19 O -1.9274649 -0.1608288 0.2858156 -0.1049316 -1.4396645 0.1221869 0.2360540 0.1091597 -1.6587059 20 O -1.9274649 0.1608288 0.2858156 0.1049316 -1.4396645 -0.1221869 0.2360540 -0.1091597 -1.6587059 21 O -1.9462929 -0.0172699 0.0967368 -0.0324537 -1.5219166 -0.3050818 0.0820061 -0.2911204 -1.7103698 22 O -1.9462929 0.0172699 0.0967368 0.0324537 -1.5219166 0.3050818 0.0820061 0.2911204 -1.7103698 23 O -1.9462929 -0.0172699 0.0967368 -0.0324537 -1.5219166 -0.3050818 0.0820061 -0.2911204 -1.7103698 24 O -1.9462929 0.0172699 0.0967368 0.0324537 -1.5219166 0.3050818 0.0820061 0.2911204 -1.7103698 25 Na 0.9808936 0.0379924 -0.0351011 0.0316303 1.1644791 -0.0172664 -0.0457346 -0.0150108 1.0746468 26 Na 0.9808936 -0.0379924 -0.0351011 -0.0316303 1.1644791 0.0172664 -0.0457346 0.0150108 1.0746468 27 Na 1.0275076 -0.0392777 0.0401600 -0.0212644 1.0262783 -0.0014793 0.0611083 -0.0109303 0.9203004 28 Na 1.0275076 0.0392777 0.0401600 0.0212644 1.0262783 0.0014793 0.0611083 0.0109303 0.9203004 29 Na 1.0275076 0.0392777 0.0401600 0.0212644 1.0262783 0.0014793 0.0611083 0.0109303 0.9203004 30 Na 1.0275076 -0.0392777 0.0401600 -0.0212644 1.0262783 -0.0014793 0.0611083 -0.0109303 0.9203004 31 Na 1.0507726 -0.0047257 0.0371711 -0.0176692 0.9032200 0.0769404 0.0466021 0.0722207 1.0372932 32 Na 1.0507726 0.0047257 0.0371711 0.0176692 0.9032200 -0.0769404 0.0466021 -0.0722207 1.0372932 33 Na 1.0507726 0.0047257 0.0371711 0.0176692 0.9032200 -0.0769404 0.0466021 -0.0722207 1.0372932 34 Na 1.0507726 -0.0047257 0.0371711 -0.0176692 0.9032200 0.0769404 0.0466021 0.0722207 1.0372932 35 Na 0.9808936 0.0379924 -0.0351011 0.0316303 1.1644791 -0.0172664 -0.0457346 -0.0150108 1.0746468 36 Na 0.9808936 -0.0379924 -0.0351011 -0.0316303 1.1644791 0.0172664 -0.0457346 0.0150108 1.0746468 37 Na 0.8892805 -0.0173017 0.0215761 -0.0176385 1.0025497 -0.0256268 0.0086899 -0.0441303 1.0423235 38 Na 0.8892805 0.0173017 0.0215761 0.0176385 1.0025497 0.0256268 0.0086899 0.0441303 1.0423235 39 Na 0.8892805 -0.0173017 0.0215761 -0.0176385 1.0025497 -0.0256268 0.0086899 -0.0441303 1.0423235 40 Na 0.8892805 0.0173017 0.0215761 0.0176385 1.0025497 0.0256268 0.0086899 0.0441303 1.0423235 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 287, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.212 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.744 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 6.075 ( 0.000 0.000 0.000) 0.000 6.088 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.317 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 6.667 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.305 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.541 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.994 ( 0.000 0.000 0.000) 0.000 10.064 ( 0.000 0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 10.201 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 10.677 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 12.883 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.378 ( 0.000 0.000 0.000) 0.000 13.609 ( 0.000 0.000 0.000) 0.000 13.699 ( 0.000 0.000 0.000) 0.000 14.015 ( 0.000 0.000 0.000) 0.000 14.205 ( 0.000 0.000 0.000) 0.000 16.250 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.647 ( 0.000 0.000 0.000) 0.000 16.758 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 0.000) 0.000 17.043 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.378 ( 0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 18.501 ( 0.000 0.000 0.000) 0.000 18.597 ( 0.000 0.000 0.000) 0.000 18.598 ( 0.000 0.000 0.000) 0.000 19.369 ( 0.000 0.000 0.000) 0.000 19.399 ( 0.000 0.000 0.000) 0.000 20.018 ( 0.000 0.000 0.000) 0.000 20.094 ( 0.000 0.000 0.000) 0.000 20.313 ( 0.000 0.000 0.000) 0.000 20.426 ( 0.000 0.000 0.000) 0.000 21.803 ( 0.000 0.000 0.000) 0.000 22.510 ( 0.000 0.000 0.000) 0.000 24.510 ( 0.000 0.000 0.000) 0.000 24.691 ( 0.000 0.000 0.000) 0.000 25.541 ( 0.000 0.000 0.000) 0.000 25.768 ( 0.000 0.000 0.000) 0.000 26.039 ( 0.000 0.000 0.000) 0.000 26.062 ( 0.000 0.000 0.000) 0.000 26.341 ( 0.000 0.000 0.000) 0.000 26.853 ( 0.000 0.000 0.000) 0.000 31.865 ( 0.000 0.000 0.000) 0.000 31.903 ( 0.000 0.000 0.000) 0.000 32.031 ( 0.000 0.000 0.000) 0.000 32.682 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 30.155 0.000 13.961) 33.230 0.690 ( 33.748 0.000 3.696) 33.950 1.001 ( 40.498 0.000 21.808) 45.996 2.129 ( 9.035 0.000 -7.314) 11.624 2.338 ( -8.656 0.000 15.552) 17.798 2.396 ( -22.428 0.000 -14.954) 26.956 2.621 ( 13.184 0.000 -23.820) 27.226 2.836 ( 11.742 0.000 -3.767) 12.332 2.918 ( -2.743 0.000 5.550) 6.191 3.347 ( -3.433 0.000 -7.348) 8.111 3.353 ( 3.281 0.000 -7.077) 7.801 3.638 ( 0.746 0.000 3.780) 3.853 3.780 ( 2.217 0.000 4.977) 5.448 3.868 ( 8.096 0.000 8.702) 11.886 4.062 ( -8.419 0.000 4.158) 9.390 4.227 ( 4.988 0.000 -8.204) 9.601 4.277 ( 4.088 0.000 1.131) 4.242 4.308 ( -22.637 0.000 -4.768) 23.134 4.468 ( 9.189 0.000 -3.642) 9.885 4.481 ( 0.158 0.000 2.520) 2.525 4.484 ( -4.386 0.000 -4.694) 6.424 4.626 ( -12.605 0.000 3.681) 13.131 4.733 ( 2.963 0.000 -2.266) 3.731 4.916 ( 7.808 0.000 4.959) 9.250 5.073 ( -12.428 0.000 -1.500) 12.518 5.360 ( 8.068 0.000 -1.115) 8.145 5.388 ( 3.778 0.000 -2.953) 4.795 5.417 ( 3.315 0.000 2.651) 4.245 5.499 ( 3.845 0.000 1.216) 4.032 5.509 ( 1.855 0.000 0.078) 1.856 5.692 ( 1.085 0.000 2.536) 2.758 5.887 ( -0.605 0.000 3.650) 3.700 6.024 ( 10.745 0.000 6.617) 12.619 6.067 ( 1.136 0.000 1.092) 1.576 6.109 ( -0.633 0.000 -3.574) 3.630 6.181 ( 15.541 0.000 -18.539) 24.191 6.238 ( 4.755 0.000 2.290) 5.278 6.274 ( 4.378 0.000 -14.413) 15.063 6.481 ( 8.446 0.000 -0.790) 8.483 6.566 ( -3.340 0.000 -3.564) 4.884 6.625 ( -1.736 0.000 0.111) 1.739 6.688 ( -4.190 0.000 -2.498) 4.878 6.818 ( -0.401 0.000 -0.835) 0.927 6.938 ( -2.377 0.000 2.612) 3.532 6.954 ( -5.351 0.000 -1.951) 5.696 7.050 ( -10.376 0.000 11.928) 15.809 7.126 ( -1.978 0.000 0.658) 2.085 7.338 ( -0.785 0.000 -5.869) 5.921 7.423 ( 7.385 0.000 -1.229) 7.487 7.486 ( -1.309 0.000 -2.523) 2.842 7.667 ( 12.245 0.000 -7.074) 14.142 7.731 ( -2.940 0.000 -1.540) 3.319 7.821 ( -1.211 0.000 -2.891) 3.135 7.861 ( -3.007 0.000 4.594) 5.491 8.075 ( -1.675 0.000 1.726) 2.405 8.324 ( 4.646 0.000 -1.102) 4.775 8.365 ( -1.775 0.000 -3.340) 3.782 8.440 ( -6.230 0.000 10.691) 12.374 8.538 ( 1.872 0.000 -3.173) 3.684 8.560 ( -3.388 0.000 -0.544) 3.432 8.594 ( -12.277 0.000 12.725) 17.682 8.736 ( -3.358 0.000 3.734) 5.022 9.010 ( 1.227 0.000 0.296) 1.262 9.035 ( -1.348 0.000 0.360) 1.395 9.236 ( -9.849 0.000 0.059) 9.850 9.546 ( -6.949 0.000 16.724) 18.110 10.000 ( 1.140 0.000 -0.892) 1.447 10.146 ( -1.205 0.000 -1.603) 2.005 10.233 ( 3.743 0.000 -0.362) 3.760 10.328 ( -1.574 0.000 -0.708) 1.726 10.350 ( 10.362 0.000 -1.967) 10.547 10.516 ( -5.482 0.000 4.518) 7.104 10.615 ( 4.499 0.000 -8.892) 9.965 10.638 ( -2.826 0.000 -2.027) 3.478 10.995 ( -4.120 0.000 4.151) 5.849 11.083 ( 5.574 0.000 -5.671) 7.952 11.140 ( -17.766 0.000 30.252) 35.083 11.504 ( -10.594 0.000 14.473) 17.936 12.880 ( -0.895 0.000 0.220) 0.922 13.079 ( -8.234 0.000 2.321) 8.555 13.082 ( -9.013 0.000 1.729) 9.177 13.332 ( -4.365 0.000 -0.727) 4.425 13.705 ( 9.099 0.000 -1.413) 9.208 13.745 ( 2.054 0.000 2.073) 2.918 14.064 ( 4.073 0.000 1.133) 4.227 14.216 ( 0.879 0.000 0.114) 0.886 16.171 ( -6.906 0.000 -1.650) 7.100 16.247 ( -8.056 0.000 1.721) 8.238 16.648 ( 0.145 0.000 -0.063) 0.158 16.749 ( -0.684 0.000 -0.121) 0.695 17.028 ( -4.211 0.000 -0.131) 4.213 17.075 ( 1.544 0.000 0.797) 1.738 17.104 ( -2.225 0.000 7.484) 7.808 17.343 ( -0.546 0.000 0.650) 0.849 17.488 ( 11.379 0.000 -2.758) 11.709 17.615 ( 7.734 0.000 -2.483) 8.122 18.466 ( -0.532 0.000 0.982) 1.117 18.495 ( -0.411 0.000 -0.194) 0.455 18.614 ( 1.733 0.000 -0.178) 1.742 18.626 ( 2.623 0.000 0.518) 2.673 19.360 ( -1.040 0.000 0.096) 1.044 19.375 ( -2.322 0.000 -0.066) 2.323 20.029 ( 0.514 0.000 1.045) 1.164 20.235 ( 7.332 0.000 -13.744) 15.577 20.305 ( -1.061 0.000 0.323) 1.109 20.404 ( -2.217 0.000 0.139) 2.222 22.324 ( 41.032 0.000 -77.208) 87.434 22.696 ( 13.440 0.000 9.864) 16.671 24.499 ( -1.240 0.000 0.388) 1.299 25.281 ( 7.718 0.000 -16.273) 18.011 25.570 ( 4.367 0.000 -2.699) 5.134 25.800 ( 2.210 0.000 1.468) 2.654 26.055 ( 1.317 0.000 0.764) 1.523 26.342 ( 0.690 0.000 -1.189) 1.375 26.716 ( -19.450 0.000 29.846) 35.624 26.822 ( -1.784 0.000 -2.134) 2.781 31.937 ( 1.050 0.000 4.237) 4.365 31.958 ( 2.014 0.000 -14.055) 14.198 32.199 ( 18.176 0.000 -25.303) 31.154 32.734 ( 5.103 0.000 0.742) 5.157 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 26.881 0.000 -2.911) 27.038 1.348 ( 24.222 0.000 13.289) 27.628 1.773 ( -21.827 0.000 -17.884) 28.218 1.828 ( 22.242 0.000 27.195) 35.133 2.301 ( 17.728 0.000 -12.246) 21.547 2.412 ( -0.317 0.000 15.145) 15.149 2.618 ( 5.246 0.000 -4.326) 6.799 2.943 ( 1.249 0.000 -4.581) 4.749 2.990 ( 1.881 0.000 8.113) 8.329 3.219 ( -1.492 0.000 -5.683) 5.876 3.248 ( -4.762 0.000 -9.127) 10.294 3.684 ( 0.100 0.000 2.747) 2.749 3.831 ( -20.317 0.000 -1.276) 20.357 3.888 ( -3.262 0.000 10.533) 11.026 4.018 ( 2.799 0.000 -3.204) 4.255 4.061 ( -5.009 0.000 1.678) 5.283 4.216 ( 0.254 0.000 -3.442) 3.451 4.255 ( 5.531 0.000 -5.589) 7.863 4.340 ( -6.177 0.000 -1.909) 6.466 4.518 ( 2.686 0.000 1.833) 3.252 4.536 ( -2.425 0.000 2.896) 3.777 4.622 ( 9.981 0.000 -4.364) 10.894 4.758 ( 0.832 0.000 -5.790) 5.850 4.921 ( 1.374 0.000 7.397) 7.524 5.062 ( 4.904 0.000 1.069) 5.019 5.332 ( -3.971 0.000 -2.867) 4.898 5.424 ( -4.388 0.000 -4.539) 6.314 5.485 ( 1.991 0.000 0.532) 2.061 5.592 ( 6.042 0.000 4.764) 7.694 5.621 ( 3.498 0.000 0.306) 3.511 5.777 ( -5.357 0.000 -3.212) 6.246 5.803 ( 5.087 0.000 7.475) 9.041 5.991 ( 0.113 0.000 -14.942) 14.942 6.141 ( -4.586 0.000 -9.121) 10.209 6.144 ( 3.568 0.000 3.171) 4.773 6.217 ( 2.863 0.000 3.404) 4.448 6.386 ( 8.789 0.000 -9.551) 12.979 6.387 ( 10.519 0.000 1.044) 10.571 6.509 ( -1.080 0.000 -1.230) 1.637 6.580 ( -0.478 0.000 0.146) 0.500 6.581 ( 0.129 0.000 2.836) 2.839 6.706 ( 8.727 0.000 6.004) 10.593 6.767 ( -4.573 0.000 -2.269) 5.105 6.816 ( 3.223 0.000 -1.659) 3.625 7.014 ( 0.494 0.000 2.862) 2.905 7.039 ( -3.131 0.000 -1.957) 3.692 7.115 ( -0.053 0.000 11.318) 11.318 7.248 ( -1.213 0.000 -2.236) 2.544 7.405 ( -3.844 0.000 -0.463) 3.872 7.584 ( -10.114 0.000 6.158) 11.841 7.626 ( 7.358 0.000 1.005) 7.426 7.665 ( -1.980 0.000 -6.173) 6.483 7.868 ( -0.574 0.000 2.547) 2.611 7.874 ( 5.304 0.000 -4.566) 6.999 8.105 ( 3.714 0.000 2.379) 4.411 8.266 ( -5.167 0.000 -4.797) 7.050 8.302 ( -1.975 0.000 -1.410) 2.426 8.366 ( -10.326 0.000 0.473) 10.337 8.497 ( 0.727 0.000 -1.575) 1.734 8.524 ( -3.489 0.000 5.693) 6.678 8.600 ( 3.225 0.000 2.117) 3.858 8.641 ( -13.771 0.000 0.231) 13.773 8.929 ( -2.949 0.000 -2.815) 4.077 9.062 ( 5.332 0.000 -2.578) 5.922 9.144 ( -6.275 0.000 7.847) 10.047 9.604 ( -1.450 0.000 9.418) 9.529 10.015 ( 1.344 0.000 -0.714) 1.522 10.095 ( -2.050 0.000 -2.273) 3.062 10.188 ( -8.899 0.000 -3.663) 9.624 10.312 ( 4.720 0.000 -0.616) 4.760 10.523 ( 1.190 0.000 0.143) 1.199 10.540 ( 6.229 0.000 -3.669) 7.229 10.564 ( 3.004 0.000 -0.328) 3.022 10.615 ( 3.680 0.000 -4.812) 6.058 10.962 ( -3.590 0.000 4.555) 5.799 11.099 ( -10.456 0.000 14.111) 17.563 11.106 ( 2.849 0.000 -6.400) 7.006 11.432 ( -6.968 0.000 4.066) 8.067 12.817 ( -6.946 0.000 0.530) 6.966 12.954 ( -6.097 0.000 1.461) 6.270 12.983 ( -3.460 0.000 2.707) 4.392 13.236 ( -4.191 0.000 -1.403) 4.419 13.818 ( 4.171 0.000 0.232) 4.177 13.851 ( 7.258 0.000 -0.629) 7.286 14.153 ( 3.786 0.000 1.133) 3.952 14.230 ( 0.463 0.000 -0.030) 0.464 16.011 ( -7.542 0.000 -1.882) 7.774 16.104 ( -8.583 0.000 1.974) 8.807 16.651 ( 0.182 0.000 -0.072) 0.196 16.737 ( -0.402 0.000 -0.355) 0.536 16.953 ( -3.423 0.000 -0.007) 3.423 17.116 ( 2.033 0.000 0.039) 2.033 17.140 ( 0.107 0.000 3.473) 3.475 17.344 ( -0.011 0.000 0.520) 0.520 17.675 ( 10.690 0.000 -2.197) 10.913 17.740 ( 6.971 0.000 -1.001) 7.042 18.466 ( -0.270 0.000 0.569) 0.630 18.486 ( -0.344 0.000 -0.183) 0.389 18.645 ( 1.706 0.000 -0.334) 1.738 18.690 ( 3.234 0.000 0.695) 3.308 19.327 ( -2.529 0.000 -0.089) 2.531 19.338 ( -1.339 0.000 0.111) 1.343 20.051 ( 0.414 0.000 1.308) 1.372 20.235 ( 3.575 0.000 -6.442) 7.367 20.283 ( -1.857 0.000 0.903) 2.065 20.361 ( -2.330 0.000 0.059) 2.331 22.312 ( 14.938 0.000 -28.965) 32.590 23.092 ( 14.132 0.000 14.122) 19.978 24.481 ( -0.850 0.000 0.124) 0.859 25.258 ( 1.946 0.000 -5.885) 6.198 25.635 ( 5.446 0.000 -3.111) 6.272 25.843 ( 0.069 0.000 1.272) 1.274 26.096 ( 1.975 0.000 1.156) 2.289 26.345 ( 1.200 0.000 -1.407) 1.850 26.637 ( -10.781 0.000 10.961) 15.374 26.771 ( -0.503 0.000 -2.778) 2.824 31.863 ( -0.168 0.000 -8.000) 8.002 32.005 ( 0.875 0.000 5.011) 5.087 32.271 ( 7.301 0.000 -7.635) 10.564 32.863 ( 6.634 0.000 2.272) 7.012 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -14.993 0.000 -9.895) 17.963 1.583 ( 11.586 0.000 -2.924) 11.949 2.056 ( 26.781 0.000 11.990) 29.342 2.315 ( 7.485 0.000 13.247) 15.215 2.359 ( -0.640 0.000 0.746) 0.983 2.543 ( -4.945 0.000 5.732) 7.571 2.718 ( -11.062 0.000 -9.102) 14.325 2.814 ( 14.821 0.000 -6.394) 16.141 2.994 ( -6.778 0.000 3.832) 7.786 3.100 ( -2.970 0.000 -4.191) 5.137 3.305 ( 10.315 0.000 -0.385) 10.322 3.548 ( -7.426 0.000 -0.435) 7.439 3.650 ( -5.077 0.000 -1.519) 5.299 3.826 ( -7.711 0.000 -0.998) 7.775 3.907 ( -3.266 0.000 5.697) 6.566 4.071 ( 3.630 0.000 -2.833) 4.604 4.145 ( -3.347 0.000 -3.303) 4.702 4.312 ( 2.780 0.000 -0.134) 2.783 4.397 ( 0.263 0.000 2.588) 2.601 4.498 ( -0.715 0.000 4.444) 4.501 4.594 ( 2.780 0.000 1.123) 2.998 4.727 ( 4.645 0.000 -2.417) 5.236 4.731 ( 3.992 0.000 -7.296) 8.317 5.141 ( 6.672 0.000 6.792) 9.521 5.151 ( 4.775 0.000 0.400) 4.791 5.241 ( -2.931 0.000 -2.931) 4.145 5.248 ( -4.756 0.000 -2.402) 5.328 5.450 ( -3.750 0.000 -0.188) 3.755 5.660 ( -2.655 0.000 6.103) 6.655 5.684 ( 2.427 0.000 1.820) 3.034 5.739 ( -6.102 0.000 -3.037) 6.816 5.829 ( 3.397 0.000 -7.773) 8.483 5.868 ( -3.077 0.000 1.604) 3.470 5.958 ( -3.496 0.000 -6.907) 7.741 6.199 ( 1.758 0.000 -0.009) 1.759 6.333 ( 5.266 0.000 4.734) 7.081 6.351 ( -0.402 0.000 -3.295) 3.319 6.533 ( 6.280 0.000 -4.218) 7.565 6.570 ( 0.963 0.000 4.436) 4.539 6.620 ( 8.769 0.000 -4.982) 10.086 6.660 ( -6.065 0.000 1.796) 6.325 6.755 ( -3.553 0.000 2.926) 4.602 6.778 ( 9.623 0.000 3.955) 10.404 6.870 ( -0.535 0.000 -4.017) 4.053 6.917 ( -4.326 0.000 0.164) 4.329 7.007 ( -3.887 0.000 0.456) 3.914 7.282 ( -8.446 0.000 0.768) 8.481 7.293 ( 14.616 0.000 -5.850) 15.743 7.374 ( 0.743 0.000 16.214) 16.231 7.455 ( -2.701 0.000 1.176) 2.946 7.577 ( -1.871 0.000 -0.798) 2.034 7.859 ( 12.085 0.000 0.600) 12.100 7.865 ( -0.355 0.000 -4.013) 4.028 7.882 ( 1.331 0.000 1.860) 2.287 8.065 ( -5.080 0.000 -4.810) 6.996 8.130 ( -14.627 0.000 0.680) 14.643 8.229 ( 2.162 0.000 -0.545) 2.229 8.284 ( 0.607 0.000 -1.594) 1.706 8.331 ( -12.960 0.000 -0.924) 12.993 8.522 ( -0.686 0.000 1.323) 1.490 8.572 ( 6.718 0.000 -2.034) 7.019 8.656 ( 1.291 0.000 0.506) 1.387 8.922 ( 1.110 0.000 0.531) 1.230 9.086 ( -6.637 0.000 5.142) 8.396 9.126 ( 2.799 0.000 -0.985) 2.967 9.653 ( -0.175 0.000 3.058) 3.063 10.010 ( -3.489 0.000 -3.417) 4.883 10.032 ( 0.610 0.000 0.016) 0.610 10.057 ( -1.610 0.000 -0.766) 1.783 10.366 ( 1.655 0.000 -0.854) 1.862 10.493 ( -1.172 0.000 -0.526) 1.284 10.523 ( 0.240 0.000 -1.413) 1.433 10.646 ( 1.416 0.000 -0.269) 1.441 10.735 ( 7.156 0.000 -0.805) 7.201 10.979 ( 0.549 0.000 4.822) 4.853 11.048 ( -4.896 0.000 4.947) 6.960 11.058 ( -1.181 0.000 -5.700) 5.821 11.353 ( -3.330 0.000 0.572) 3.379 12.704 ( -4.289 0.000 0.733) 4.351 12.894 ( -1.774 0.000 0.546) 1.856 12.975 ( -0.302 0.000 0.845) 0.897 13.173 ( -1.410 0.000 -0.733) 1.589 13.881 ( 2.090 0.000 -0.009) 2.090 13.939 ( 2.625 0.000 -0.112) 2.627 14.209 ( 1.364 0.000 0.439) 1.433 14.232 ( 0.008 0.000 -0.043) 0.044 15.895 ( -3.151 0.000 -0.807) 3.253 16.003 ( -3.478 0.000 0.841) 3.578 16.653 ( 0.082 0.000 -0.030) 0.087 16.729 ( -0.138 0.000 -0.224) 0.263 16.911 ( -1.153 0.000 -0.024) 1.153 17.143 ( 0.806 0.000 -0.043) 0.807 17.168 ( 0.241 0.000 1.167) 1.192 17.349 ( 0.085 0.000 0.153) 0.175 17.802 ( 4.249 0.000 -0.773) 4.319 17.825 ( 2.706 0.000 -0.319) 2.724 18.467 ( -0.082 0.000 0.211) 0.227 18.480 ( -0.124 0.000 -0.077) 0.146 18.663 ( 0.586 0.000 -0.166) 0.609 18.740 ( 1.426 0.000 0.328) 1.463 19.292 ( -1.007 0.000 -0.044) 1.008 19.319 ( -0.606 0.000 0.047) 0.608 20.065 ( 0.095 0.000 0.595) 0.602 20.240 ( 2.295 0.000 -3.349) 4.060 20.259 ( -1.984 0.000 1.673) 2.595 20.330 ( -0.912 0.000 -0.013) 0.912 22.302 ( 4.100 0.000 -8.139) 9.114 23.390 ( 5.397 0.000 6.998) 8.838 24.474 ( -0.013 0.000 -0.102) 0.103 25.242 ( 0.368 0.000 -1.664) 1.704 25.689 ( 2.504 0.000 -1.374) 2.856 25.828 ( -1.257 0.000 -0.086) 1.260 26.138 ( 1.163 0.000 0.619) 1.318 26.357 ( 0.778 0.000 -0.343) 0.850 26.562 ( -4.236 0.000 3.007) 5.195 26.755 ( 0.490 0.000 -1.208) 1.304 31.805 ( -0.289 0.000 -2.623) 2.639 32.052 ( 0.275 0.000 2.095) 2.113 32.310 ( 2.181 0.000 -1.974) 2.941 32.978 ( 2.936 0.000 1.524) 3.308 ======================= Grid point 7 (5/75) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.000 27.942 0.000) 27.942 0.719 ( 0.000 32.234 0.000) 32.234 1.397 ( 0.000 63.359 0.000) 63.359 2.123 ( 0.000 3.509 0.000) 3.509 2.287 ( 0.000 -7.179 0.000) 7.179 2.534 ( 0.000 5.157 0.000) 5.157 2.737 ( 0.000 2.457 0.000) 2.457 2.834 ( 0.000 -5.857 0.000) 5.857 2.873 ( 0.000 1.116 0.000) 1.116 3.267 ( 0.000 -2.623 0.000) 2.623 3.413 ( 0.000 -5.882 0.000) 5.882 3.633 ( 0.000 3.291 0.000) 3.291 3.638 ( 0.000 -3.618 0.000) 3.618 3.838 ( 0.000 4.254 0.000) 4.254 3.967 ( 0.000 -7.759 0.000) 7.759 4.232 ( 0.000 2.166 0.000) 2.166 4.315 ( 0.000 -4.839 0.000) 4.839 4.384 ( 0.000 5.055 0.000) 5.055 4.475 ( 0.000 3.920 0.000) 3.920 4.650 ( 0.000 0.036 0.000) 0.036 4.665 ( 0.000 -3.606 0.000) 3.606 4.719 ( 0.000 -1.329 0.000) 1.329 4.720 ( 0.000 7.875 0.000) 7.875 4.809 ( 0.000 -0.379 0.000) 0.379 4.999 ( 0.000 -5.991 0.000) 5.991 5.194 ( 0.000 0.631 0.000) 0.631 5.349 ( 0.000 -5.116 0.000) 5.116 5.380 ( 0.000 2.970 0.000) 2.970 5.432 ( 0.000 1.901 0.000) 1.901 5.584 ( 0.000 4.570 0.000) 4.570 5.666 ( 0.000 0.005 0.000) 0.005 5.796 ( 0.000 1.879 0.000) 1.879 5.865 ( 0.000 -1.755 0.000) 1.755 5.983 ( 0.000 -2.289 0.000) 2.289 6.050 ( 0.000 1.199 0.000) 1.199 6.104 ( 0.000 -6.020 0.000) 6.020 6.126 ( 0.000 4.349 0.000) 4.349 6.338 ( 0.000 -1.780 0.000) 1.780 6.370 ( 0.000 -0.791 0.000) 0.791 6.640 ( 0.000 -1.844 0.000) 1.844 6.690 ( 0.000 -0.583 0.000) 0.583 6.728 ( 0.000 0.004 0.000) 0.004 6.885 ( 0.000 4.122 0.000) 4.122 6.998 ( 0.000 -6.605 0.000) 6.605 7.122 ( 0.000 -1.118 0.000) 1.118 7.165 ( 0.000 5.241 0.000) 5.241 7.211 ( 0.000 4.718 0.000) 4.718 7.291 ( 0.000 -1.560 0.000) 1.560 7.339 ( 0.000 -1.059 0.000) 1.059 7.470 ( 0.000 -6.701 0.000) 6.701 7.593 ( 0.000 2.217 0.000) 2.217 7.671 ( 0.000 6.218 0.000) 6.218 7.788 ( 0.000 -4.486 0.000) 4.486 7.869 ( 0.000 -7.137 0.000) 7.137 7.948 ( 0.000 2.261 0.000) 2.261 8.122 ( 0.000 2.709 0.000) 2.709 8.406 ( 0.000 -6.294 0.000) 6.294 8.505 ( 0.000 -2.398 0.000) 2.398 8.578 ( 0.000 2.511 0.000) 2.511 8.615 ( 0.000 4.209 0.000) 4.209 8.622 ( 0.000 -8.500 0.000) 8.500 8.632 ( 0.000 -1.221 0.000) 1.221 9.139 ( 0.000 6.163 0.000) 6.163 9.233 ( 0.000 -3.920 0.000) 3.920 9.333 ( 0.000 -2.510 0.000) 2.510 9.494 ( 0.000 -7.992 0.000) 7.992 9.970 ( 0.000 -8.172 0.000) 8.172 10.042 ( 0.000 -1.319 0.000) 1.319 10.185 ( 0.000 1.750 0.000) 1.750 10.342 ( 0.000 1.759 0.000) 1.759 10.459 ( 0.000 -1.613 0.000) 1.613 10.518 ( 0.000 -0.762 0.000) 0.762 10.574 ( 0.000 -5.139 0.000) 5.139 10.633 ( 0.000 3.398 0.000) 3.398 10.944 ( 0.000 7.062 0.000) 7.062 10.962 ( 0.000 -4.710 0.000) 4.710 11.352 ( 0.000 -2.954 0.000) 2.954 11.446 ( 0.000 1.502 0.000) 1.502 12.910 ( 0.000 2.226 0.000) 2.226 13.101 ( 0.000 -5.552 0.000) 5.552 13.153 ( 0.000 0.216 0.000) 0.216 13.382 ( 0.000 -1.936 0.000) 1.936 13.726 ( 0.000 2.223 0.000) 2.223 13.803 ( 0.000 2.097 0.000) 2.097 14.029 ( 0.000 1.201 0.000) 1.201 14.231 ( 0.000 2.249 0.000) 2.249 16.246 ( 0.000 -0.455 0.000) 0.455 16.303 ( 0.000 -1.581 0.000) 1.581 16.652 ( 0.000 0.528 0.000) 0.528 16.761 ( 0.000 0.157 0.000) 0.157 16.990 ( 0.000 0.313 0.000) 0.313 17.054 ( 0.000 -1.243 0.000) 1.243 17.129 ( 0.000 0.784 0.000) 0.784 17.240 ( 0.000 -2.293 0.000) 2.293 17.360 ( 0.000 0.953 0.000) 0.953 17.400 ( 0.000 0.969 0.000) 0.969 18.480 ( 0.000 1.355 0.000) 1.355 18.590 ( 0.000 -0.618 0.000) 0.618 18.598 ( 0.000 0.182 0.000) 0.182 18.649 ( 0.000 0.453 0.000) 0.453 19.368 ( 0.000 -0.075 0.000) 0.075 19.396 ( 0.000 -0.230 0.000) 0.230 20.083 ( 0.000 0.289 0.000) 0.289 20.090 ( 0.000 -0.509 0.000) 0.509 20.342 ( 0.000 2.635 0.000) 2.635 20.440 ( 0.000 1.297 0.000) 1.297 21.810 ( 0.000 0.751 0.000) 0.751 22.578 ( 0.000 -5.144 0.000) 5.144 24.676 ( 0.000 -1.240 0.000) 1.240 25.213 ( 0.000 -5.714 0.000) 5.714 25.537 ( 0.000 -0.507 0.000) 0.507 25.787 ( 0.000 1.477 0.000) 1.477 26.114 ( 0.000 6.566 0.000) 6.566 26.195 ( 0.000 11.096 0.000) 11.096 26.331 ( 0.000 0.060 0.000) 0.060 27.801 ( 0.000 -4.742 0.000) 4.742 31.842 ( 0.000 -1.655 0.000) 1.655 31.913 ( 0.000 0.467 0.000) 0.467 32.021 ( 0.000 -0.969 0.000) 0.969 32.724 ( 0.000 -5.944 0.000) 5.944 ======================= Grid point 8 (6/75) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 15.592 20.219 15.452) 29.844 0.981 ( 31.135 19.716 -8.413) 37.801 1.678 ( 19.893 47.293 12.352) 52.772 2.118 ( 2.157 1.678 -5.163) 5.842 2.292 ( -5.228 -3.812 12.393) 13.981 2.453 ( -15.024 4.648 -7.326) 17.350 2.656 ( 9.927 4.410 -12.119) 16.274 2.820 ( 2.207 -3.280 -3.402) 5.216 2.927 ( 4.740 2.612 1.344) 5.577 3.327 ( -4.294 -3.793 -4.891) 7.533 3.393 ( 10.089 1.755 -7.274) 12.561 3.630 ( -3.381 2.138 7.507) 8.507 3.740 ( 6.121 -3.608 3.880) 8.096 3.869 ( -0.204 -2.149 6.737) 7.074 3.953 ( 0.479 -4.316 -2.258) 4.894 4.214 ( -6.238 -1.519 -0.860) 6.478 4.284 ( -0.716 -5.167 -2.839) 5.939 4.371 ( -0.278 5.154 -4.233) 6.676 4.430 ( -12.592 5.620 3.912) 14.333 4.502 ( 3.191 1.943 0.571) 3.780 4.611 ( -9.908 -0.234 3.141) 10.397 4.636 ( 0.407 2.360 -9.899) 10.185 4.753 ( 2.320 3.009 0.302) 3.811 4.916 ( 7.431 -1.569 2.569) 8.017 5.041 ( -6.258 -2.782 2.524) 7.299 5.229 ( 5.517 -4.667 -0.664) 7.257 5.389 ( 3.590 -1.034 -1.413) 3.994 5.437 ( 0.842 2.534 0.560) 2.729 5.493 ( 7.375 -2.586 -1.922) 8.049 5.531 ( 5.480 -2.861 2.638) 6.720 5.585 ( -5.311 -1.435 -3.144) 6.336 5.871 ( 0.576 -3.195 -0.628) 3.306 5.905 ( 2.292 2.053 -1.999) 3.669 5.974 ( 8.445 -4.816 4.267) 10.617 6.108 ( 3.933 -1.157 -5.543) 6.895 6.216 ( 5.562 -3.752 6.116) 9.078 6.257 ( -2.711 -1.018 -0.915) 3.037 6.304 ( 10.995 2.881 -8.339) 14.097 6.436 ( 6.967 0.168 1.488) 7.126 6.529 ( -6.000 -1.541 -5.020) 7.973 6.670 ( -1.686 0.187 -3.287) 3.699 6.737 ( 0.379 2.184 1.573) 2.718 6.780 ( -7.768 0.004 -5.139) 9.314 6.920 ( -1.049 -1.904 2.542) 3.345 7.038 ( -4.893 3.554 -1.401) 6.207 7.107 ( -6.243 1.728 0.992) 6.554 7.208 ( -3.397 6.482 9.697) 12.148 7.314 ( -1.125 -1.434 -4.868) 5.198 7.410 ( 8.786 -0.179 1.492) 8.914 7.474 ( -2.558 -2.015 -1.044) 3.420 7.648 ( 9.279 -1.349 -7.322) 11.897 7.703 ( 1.380 0.675 -0.616) 1.655 7.799 ( 1.344 -1.972 1.334) 2.734 7.891 ( -3.855 0.920 0.303) 3.975 8.037 ( 4.535 -3.961 5.081) 7.878 8.195 ( 3.241 -3.419 7.991) 9.276 8.407 ( -2.303 -6.017 1.437) 6.601 8.447 ( -7.989 -1.189 -0.842) 8.120 8.486 ( -1.144 -2.337 -2.927) 3.916 8.531 ( -4.619 0.200 0.459) 4.646 8.631 ( -5.746 3.694 6.361) 9.334 8.761 ( 5.505 -4.861 -2.014) 7.614 8.991 ( -6.843 5.358 0.835) 8.731 9.125 ( -10.864 1.080 -9.384) 14.396 9.249 ( -3.950 1.611 5.075) 6.630 9.466 ( -4.359 -6.512 9.614) 12.403 9.967 ( 1.432 -3.271 -1.097) 3.735 10.137 ( 6.633 -6.785 -4.256) 10.399 10.221 ( -0.024 0.908 1.208) 1.512 10.308 ( 1.335 -0.150 -1.875) 2.306 10.360 ( -2.261 1.909 -0.405) 2.986 10.470 ( -4.339 -3.004 2.867) 6.006 10.605 ( 2.790 0.256 -3.291) 4.322 10.725 ( 1.418 1.106 2.018) 2.703 10.902 ( -5.923 1.122 6.047) 8.539 11.009 ( 3.787 -4.648 -1.274) 6.129 11.222 ( -8.600 1.380 4.627) 9.863 11.501 ( -3.446 0.089 6.075) 6.985 12.895 ( -2.486 1.613 0.473) 3.001 13.062 ( -5.974 -0.290 1.180) 6.096 13.124 ( -2.990 -0.275 -0.870) 3.126 13.335 ( -5.177 -1.911 0.276) 5.526 13.699 ( 0.855 2.840 -1.645) 3.392 13.805 ( 3.584 2.730 0.935) 4.601 14.076 ( 4.147 1.106 0.785) 4.363 14.246 ( 1.047 2.420 0.114) 2.639 16.153 ( -7.764 -1.215 -0.977) 7.919 16.242 ( -7.199 -0.620 1.396) 7.359 16.653 ( 0.229 0.525 -0.138) 0.589 16.752 ( -0.652 0.180 -0.195) 0.704 17.026 ( -3.624 -0.467 1.408) 3.916 17.064 ( 1.373 -0.801 2.776) 3.199 17.094 ( 1.233 -0.386 1.370) 1.883 17.289 ( -0.213 -2.248 -3.605) 4.254 17.458 ( 12.402 -6.026 1.200) 13.840 17.541 ( 9.736 0.726 0.302) 9.767 18.481 ( -0.186 1.381 0.511) 1.484 18.560 ( -2.714 2.145 -0.463) 3.490 18.617 ( 1.883 0.317 -0.148) 1.916 18.642 ( 1.758 1.385 0.465) 2.286 19.355 ( -1.270 -0.299 -0.265) 1.331 19.377 ( -2.016 0.080 0.339) 2.046 20.037 ( -0.607 0.574 0.870) 1.206 20.175 ( 6.256 -3.441 -6.587) 9.714 20.319 ( -1.604 2.024 -0.172) 2.588 20.425 ( -2.009 1.488 0.395) 2.531 22.060 ( 29.096 -9.711 -25.102) 39.635 22.705 ( 11.437 -4.437 2.776) 12.577 24.625 ( -2.957 4.969 -1.112) 5.888 25.192 ( 4.031 -6.811 -9.698) 12.517 25.551 ( 1.976 -1.282 0.023) 2.356 25.861 ( 3.959 2.323 3.437) 5.734 26.106 ( 0.729 3.166 0.264) 3.260 26.238 ( -2.297 5.040 6.387) 8.454 26.481 ( 8.690 -2.178 6.798) 11.246 27.363 ( -26.568 13.737 -7.456) 30.824 31.901 ( 6.399 -4.233 -14.137) 16.085 31.931 ( 0.648 -0.433 3.490) 3.576 32.089 ( 7.544 -4.452 0.565) 8.778 32.720 ( 2.800 -4.279 -2.421) 5.658 ======================= Grid point 9 (7/75) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 19.128 12.148 8.543) 24.216 1.478 ( 26.331 9.488 0.008) 27.988 1.807 ( -19.451 3.665 -17.466) 26.397 2.156 ( 10.485 16.743 14.615) 24.574 2.359 ( 14.167 12.225 1.199) 18.751 2.425 ( 3.533 1.341 10.342) 11.011 2.714 ( 5.384 7.968 -4.347) 10.554 2.853 ( 1.261 -1.169 0.744) 1.874 3.057 ( 6.248 2.970 4.118) 8.051 3.210 ( -1.326 -1.663 -6.386) 6.731 3.341 ( -5.951 8.714 -8.717) 13.687 3.654 ( -4.517 -1.356 2.946) 5.560 3.793 ( -6.113 -3.667 2.422) 7.529 3.877 ( -2.708 -2.920 0.033) 3.982 3.971 ( 3.421 -2.549 4.042) 5.877 4.118 ( -5.691 3.872 3.464) 7.706 4.221 ( -1.701 1.038 -2.828) 3.459 4.299 ( -0.150 3.256 -6.012) 6.839 4.352 ( 0.896 1.797 -1.428) 2.464 4.510 ( -4.290 -1.293 3.541) 5.711 4.548 ( 1.306 1.136 -0.097) 1.734 4.597 ( 2.347 -1.586 -2.661) 3.887 4.814 ( 3.358 4.172 -4.014) 6.693 4.947 ( 2.683 2.086 4.937) 5.994 5.040 ( 3.362 -2.484 0.821) 4.260 5.253 ( -0.428 -7.722 -5.168) 9.301 5.360 ( -6.021 -2.836 -2.660) 7.167 5.491 ( 1.722 -1.630 2.189) 3.227 5.585 ( 4.873 -2.271 0.548) 5.404 5.646 ( 5.057 -1.238 4.677) 6.999 5.662 ( 4.509 -5.327 -0.440) 6.993 5.813 ( -0.728 0.063 -3.431) 3.508 5.925 ( 1.398 2.510 -3.030) 4.175 6.032 ( 2.594 -9.446 -8.581) 13.022 6.173 ( 2.558 -0.210 -1.129) 2.804 6.207 ( 2.066 0.160 -1.631) 2.637 6.320 ( -9.089 -4.050 -0.459) 9.961 6.371 ( 6.077 -4.302 -3.642) 8.289 6.422 ( 0.310 -4.381 0.388) 4.409 6.541 ( 5.067 1.977 6.469) 8.452 6.640 ( -1.478 -2.707 -0.675) 3.157 6.715 ( -2.220 4.207 -2.384) 5.320 6.781 ( 7.629 1.495 1.032) 7.842 6.908 ( 2.010 1.517 -0.604) 2.589 6.989 ( -2.239 1.339 -1.346) 2.935 7.074 ( 2.010 0.570 3.813) 4.348 7.239 ( 1.005 5.754 -1.157) 5.954 7.251 ( -2.263 2.363 4.938) 5.924 7.392 ( -3.914 -0.683 0.408) 3.994 7.588 ( -3.145 1.782 4.913) 6.100 7.640 ( 3.623 1.718 -0.119) 4.012 7.692 ( -1.475 0.370 -1.070) 1.859 7.820 ( 2.472 -1.290 -3.265) 4.293 7.918 ( 2.454 0.941 0.513) 2.677 8.126 ( 3.235 1.637 2.763) 4.558 8.227 ( -5.881 -5.078 0.671) 7.799 8.302 ( -5.268 0.648 -1.837) 5.616 8.376 ( -3.665 -7.557 0.064) 8.399 8.421 ( -1.518 2.014 -5.126) 5.713 8.473 ( -1.307 -7.145 3.807) 8.201 8.546 ( -5.565 2.536 3.047) 6.833 8.732 ( -8.638 2.934 -1.020) 9.180 8.859 ( -3.810 -4.164 -7.082) 9.056 9.034 ( 2.404 -0.133 5.504) 6.007 9.237 ( -2.303 4.942 4.009) 6.767 9.507 ( -0.989 -7.785 7.489) 10.848 9.994 ( 2.059 -2.010 -0.472) 2.916 10.123 ( -2.914 1.343 -2.357) 3.981 10.189 ( -5.976 -0.746 -5.656) 8.262 10.236 ( -1.003 -6.043 0.540) 6.149 10.447 ( 10.233 -6.132 -3.242) 12.362 10.488 ( 2.024 -0.594 1.710) 2.715 10.647 ( 3.192 3.716 0.208) 4.903 10.714 ( 1.089 6.283 -5.165) 8.206 10.875 ( -4.314 -4.326 7.523) 9.691 11.031 ( -2.001 -5.314 1.843) 5.970 11.142 ( -3.501 1.158 0.151) 3.690 11.451 ( -6.028 1.317 2.868) 6.804 12.807 ( -7.236 0.078 0.558) 7.258 12.977 ( -4.646 -0.548 2.436) 5.275 13.040 ( -4.159 5.190 -0.412) 6.664 13.246 ( -3.243 0.908 -0.500) 3.405 13.769 ( 5.902 -1.858 -0.423) 6.202 13.885 ( 3.732 1.390 0.043) 3.982 14.164 ( 4.013 0.998 0.807) 4.213 14.263 ( 0.780 2.778 -0.116) 2.888 15.996 ( -7.197 -1.125 -1.426) 7.422 16.102 ( -8.675 -0.289 1.662) 8.838 16.656 ( 0.256 0.589 -0.115) 0.652 16.739 ( -0.356 0.194 -0.429) 0.591 16.960 ( -3.251 0.696 0.196) 3.331 17.120 ( 2.042 0.122 1.036) 2.293 17.138 ( 0.590 -0.398 3.175) 3.254 17.268 ( 1.106 -5.044 -2.886) 5.916 17.664 ( 9.815 -3.787 -0.593) 10.537 17.707 ( 7.435 -0.401 0.502) 7.463 18.483 ( -0.158 1.500 0.510) 1.592 18.522 ( -1.110 2.558 -0.332) 2.808 18.652 ( 1.936 0.670 -0.297) 2.070 18.697 ( 3.100 0.679 0.542) 3.220 19.321 ( -1.910 -0.354 -0.310) 1.967 19.343 ( -1.902 0.269 0.393) 1.961 20.049 ( 0.334 -0.216 1.033) 1.107 20.200 ( 3.010 -2.963 -4.462) 6.144 20.289 ( -1.894 1.396 0.522) 2.410 20.386 ( -2.148 1.747 0.183) 2.775 22.239 ( 15.275 -5.017 -19.018) 24.903 22.996 ( 11.329 -8.778 10.240) 17.615 24.578 ( -1.267 6.994 -0.509) 7.126 25.176 ( 2.664 -6.959 -6.143) 9.657 25.605 ( 4.099 -2.484 -1.144) 4.927 25.939 ( 1.993 8.119 -0.481) 8.373 26.171 ( 3.464 -5.032 6.205) 8.707 26.247 ( -1.126 8.789 2.509) 9.210 26.659 ( 4.747 -2.438 3.974) 6.653 26.901 ( -17.673 10.146 -5.673) 21.153 31.840 ( 0.386 -1.913 -7.639) 7.884 31.987 ( 0.417 -1.561 4.690) 4.960 32.213 ( 6.612 -4.525 -2.748) 8.470 32.788 ( 4.822 -7.037 0.724) 8.561 ======================= Grid point 10 (8/75) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -12.013 11.683 -9.125) 19.081 1.703 ( 9.764 10.465 -2.081) 14.463 1.959 ( 16.161 -4.264 9.122) 19.041 2.382 ( 4.099 -2.142 7.108) 8.480 2.474 ( 2.201 6.587 -5.878) 9.099 2.647 ( -2.396 17.935 7.639) 19.641 2.825 ( 6.637 1.457 -0.248) 6.799 2.829 ( 2.645 5.376 4.481) 7.482 3.050 ( -6.574 0.746 -7.775) 10.209 3.118 ( -5.293 10.111 -0.380) 11.419 3.345 ( 12.180 3.916 -0.641) 12.810 3.557 ( -3.504 0.517 3.893) 5.263 3.684 ( -6.896 2.408 -6.817) 9.991 3.807 ( -6.346 -2.375 0.111) 6.777 3.912 ( -2.449 1.375 3.581) 4.551 4.129 ( 2.502 4.638 -0.221) 5.275 4.178 ( -0.981 2.274 -3.927) 4.643 4.337 ( 2.554 1.584 1.133) 3.212 4.389 ( -0.050 -0.132 3.249) 3.252 4.463 ( -0.954 -1.716 2.124) 2.893 4.532 ( -2.044 -2.880 -1.856) 3.990 4.690 ( 6.792 -2.419 0.837) 7.258 4.845 ( 4.448 6.401 -4.517) 9.009 5.074 ( 1.801 -7.281 2.571) 7.929 5.135 ( 0.985 -2.555 -0.691) 2.824 5.196 ( 0.134 -0.660 -1.249) 1.419 5.217 ( -0.585 -2.445 -1.094) 2.741 5.478 ( -3.981 1.469 3.055) 5.229 5.603 ( -3.203 -7.438 -1.133) 8.177 5.671 ( 1.765 -1.751 -2.891) 3.813 5.767 ( 3.077 2.777 4.572) 6.172 5.810 ( -0.087 1.210 -1.215) 1.717 5.885 ( -1.236 0.585 -5.033) 5.215 5.977 ( -1.668 1.515 -4.657) 5.173 6.122 ( 0.724 -12.190 -1.813) 12.346 6.221 ( 1.082 1.284 -1.266) 2.103 6.254 ( -1.925 -8.106 2.339) 8.653 6.439 ( 3.281 -10.324 1.070) 10.886 6.493 ( 4.204 -4.648 0.494) 6.287 6.574 ( -4.181 -2.570 3.743) 6.172 6.623 ( -1.654 3.171 -2.066) 4.130 6.696 ( 1.101 -3.571 1.367) 3.979 6.870 ( 1.390 1.057 -1.259) 2.153 6.929 ( 0.011 3.529 -1.752) 3.940 7.009 ( 5.634 5.402 -0.279) 7.810 7.133 ( 2.447 3.071 -2.055) 4.432 7.232 ( -5.337 1.429 1.111) 5.635 7.289 ( 2.407 -2.319 1.641) 3.724 7.451 ( 3.688 3.522 9.770) 11.021 7.499 ( -2.813 5.310 1.397) 6.169 7.613 ( -1.181 3.077 -1.504) 3.623 7.768 ( 2.192 -2.919 -4.789) 6.022 7.877 ( 4.871 0.628 3.476) 6.017 7.935 ( 0.062 1.206 0.708) 1.400 8.048 ( -5.493 -0.111 -0.600) 5.527 8.159 ( -7.396 0.846 -2.818) 7.960 8.227 ( -0.620 1.236 1.173) 1.813 8.323 ( 1.978 2.102 -0.819) 3.000 8.375 ( -8.929 2.918 -2.386) 9.692 8.451 ( 3.777 -9.968 -0.961) 10.703 8.504 ( -1.718 -0.956 1.031) 2.220 8.601 ( 0.037 -4.055 -1.180) 4.223 8.833 ( 0.955 -4.422 -0.627) 4.568 9.091 ( -2.323 0.793 5.360) 5.895 9.237 ( 0.457 5.729 -0.514) 5.770 9.555 ( 0.069 -8.335 2.907) 8.828 10.008 ( -1.692 -0.601 -2.108) 2.769 10.030 ( -1.761 0.033 -0.938) 1.995 10.069 ( -1.279 0.790 -0.785) 1.696 10.242 ( 0.548 -8.593 -1.260) 8.702 10.505 ( 1.893 0.037 -1.372) 2.338 10.599 ( 3.481 -3.783 2.286) 5.626 10.652 ( -0.142 6.874 -2.421) 7.289 10.740 ( 2.840 1.612 -0.834) 3.370 10.897 ( 0.429 -4.845 3.811) 6.179 10.990 ( -3.143 -4.938 0.871) 5.918 11.085 ( -1.701 1.082 -1.321) 2.410 11.372 ( -3.425 1.351 0.634) 3.736 12.698 ( -3.966 -0.130 0.576) 4.010 12.936 ( -1.617 -2.997 0.837) 3.507 12.987 ( -1.386 7.379 -0.024) 7.508 13.213 ( -0.364 3.034 -0.364) 3.077 13.862 ( 3.870 -1.317 -0.188) 4.092 13.922 ( 0.128 -1.245 0.161) 1.262 14.222 ( 1.532 1.058 0.295) 1.885 14.271 ( 0.248 3.126 -0.095) 3.137 15.891 ( -2.729 -0.248 -0.759) 2.843 15.995 ( -3.771 -0.780 0.826) 3.939 16.659 ( 0.112 0.664 -0.037) 0.674 16.731 ( -0.119 0.204 -0.257) 0.349 16.921 ( -1.108 0.966 0.029) 1.470 17.153 ( 0.965 0.836 -0.104) 1.280 17.170 ( -0.017 0.104 1.947) 1.950 17.264 ( 0.615 -6.597 -1.309) 6.754 17.787 ( 3.889 -3.150 -0.691) 5.052 17.807 ( 2.785 -0.464 0.493) 2.867 18.485 ( -0.044 1.621 0.203) 1.634 18.508 ( -0.304 2.268 -0.116) 2.291 18.675 ( 0.706 0.998 -0.150) 1.232 18.746 ( 1.397 0.467 0.258) 1.495 19.292 ( -0.824 -0.023 -0.098) 0.831 19.320 ( -0.783 -0.001 0.131) 0.794 20.061 ( 0.093 -0.434 0.508) 0.674 20.207 ( 1.183 -3.121 -1.788) 3.786 20.265 ( -1.130 1.493 0.493) 1.936 20.360 ( -0.774 1.943 0.028) 2.091 22.286 ( 4.380 -1.336 -6.325) 7.809 23.230 ( 4.303 -13.498 5.401) 15.162 24.566 ( 0.022 7.455 -0.266) 7.459 25.168 ( 0.818 -6.368 -2.011) 6.728 25.659 ( 2.251 -2.856 -0.727) 3.708 25.938 ( -0.404 9.435 -0.682) 9.469 26.241 ( -0.343 6.748 0.733) 6.797 26.348 ( 7.236 0.225 7.272) 10.261 26.582 ( -11.250 2.456 -6.505) 13.225 26.741 ( 1.478 -0.402 1.214) 1.954 31.790 ( -0.200 -1.315 -2.481) 2.815 32.026 ( 0.112 -2.292 1.960) 3.018 32.274 ( 2.213 -3.250 -1.066) 4.074 32.870 ( 2.277 -9.669 0.942) 9.978 ======================= Grid point 14 (9/75) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 23.250 0.000) 23.250 1.280 ( 0.000 18.417 0.000) 18.417 2.131 ( 0.000 4.272 0.000) 4.272 2.144 ( 0.000 -2.008 0.000) 2.008 2.536 ( 0.000 14.842 0.000) 14.842 2.682 ( 0.000 8.328 0.000) 8.328 2.741 ( 0.000 1.873 0.000) 1.873 2.911 ( 0.000 28.451 0.000) 28.451 2.973 ( 0.000 7.964 0.000) 7.964 3.149 ( 0.000 -14.281 0.000) 14.281 3.294 ( 0.000 6.279 0.000) 6.279 3.496 ( 0.000 -9.135 0.000) 9.135 3.702 ( 0.000 2.074 0.000) 2.074 3.939 ( 0.000 2.650 0.000) 2.650 3.994 ( 0.000 8.722 0.000) 8.722 4.241 ( 0.000 -1.333 0.000) 1.333 4.269 ( 0.000 1.626 0.000) 1.626 4.365 ( 0.000 -6.819 0.000) 6.819 4.479 ( 0.000 -2.305 0.000) 2.305 4.587 ( 0.000 -6.168 0.000) 6.168 4.605 ( 0.000 -1.520 0.000) 1.520 4.661 ( 0.000 -1.055 0.000) 1.055 4.773 ( 0.000 1.299 0.000) 1.299 4.922 ( 0.000 8.015 0.000) 8.015 4.988 ( 0.000 1.328 0.000) 1.328 5.193 ( 0.000 -1.076 0.000) 1.076 5.279 ( 0.000 0.203 0.000) 0.203 5.451 ( 0.000 -2.000 0.000) 2.000 5.478 ( 0.000 3.934 0.000) 3.934 5.610 ( 0.000 -2.328 0.000) 2.328 5.678 ( 0.000 1.352 0.000) 1.352 5.766 ( 0.000 -5.007 0.000) 5.007 5.854 ( 0.000 4.076 0.000) 4.076 5.932 ( 0.000 -3.093 0.000) 3.093 5.971 ( 0.000 -3.804 0.000) 3.804 6.128 ( 0.000 3.400 0.000) 3.400 6.219 ( 0.000 -7.748 0.000) 7.748 6.280 ( 0.000 9.084 0.000) 9.084 6.430 ( 0.000 1.922 0.000) 1.922 6.535 ( 0.000 -6.143 0.000) 6.143 6.663 ( 0.000 -3.013 0.000) 3.013 6.730 ( 0.000 4.205 0.000) 4.205 6.839 ( 0.000 -5.838 0.000) 5.838 7.028 ( 0.000 7.973 0.000) 7.973 7.065 ( 0.000 -7.548 0.000) 7.548 7.228 ( 0.000 -1.720 0.000) 1.720 7.306 ( 0.000 0.798 0.000) 0.798 7.310 ( 0.000 6.155 0.000) 6.155 7.343 ( 0.000 -0.756 0.000) 0.756 7.351 ( 0.000 1.792 0.000) 1.792 7.552 ( 0.000 -5.003 0.000) 5.003 7.712 ( 0.000 -6.862 0.000) 6.862 7.728 ( 0.000 -1.665 0.000) 1.665 7.790 ( 0.000 1.732 0.000) 1.732 7.983 ( 0.000 0.762 0.000) 0.762 8.148 ( 0.000 -1.621 0.000) 1.621 8.215 ( 0.000 -8.011 0.000) 8.011 8.435 ( 0.000 -3.566 0.000) 3.566 8.436 ( 0.000 -3.222 0.000) 3.222 8.618 ( 0.000 -0.300 0.000) 0.300 8.700 ( 0.000 3.045 0.000) 3.045 8.772 ( 0.000 9.868 0.000) 9.868 9.129 ( 0.000 -5.547 0.000) 5.547 9.191 ( 0.000 -3.717 0.000) 3.717 9.250 ( 0.000 -3.354 0.000) 3.354 9.320 ( 0.000 -7.779 0.000) 7.779 9.776 ( 0.000 -8.673 0.000) 8.673 9.903 ( 0.000 -8.657 0.000) 8.657 10.222 ( 0.000 -1.967 0.000) 1.967 10.355 ( 0.000 -2.834 0.000) 2.834 10.433 ( 0.000 -0.040 0.000) 0.040 10.483 ( 0.000 -1.922 0.000) 1.922 10.551 ( 0.000 2.715 0.000) 2.715 10.644 ( 0.000 -3.367 0.000) 3.367 10.903 ( 0.000 1.413 0.000) 1.413 11.080 ( 0.000 5.801 0.000) 5.801 11.288 ( 0.000 -2.565 0.000) 2.565 11.474 ( 0.000 0.872 0.000) 0.872 12.957 ( 0.000 1.778 0.000) 1.778 12.981 ( 0.000 -4.774 0.000) 4.774 13.165 ( 0.000 0.684 0.000) 0.684 13.331 ( 0.000 -2.724 0.000) 2.724 13.779 ( 0.000 2.744 0.000) 2.744 13.865 ( 0.000 3.457 0.000) 3.457 14.061 ( 0.000 1.956 0.000) 1.956 14.283 ( 0.000 2.279 0.000) 2.279 16.229 ( 0.000 -1.117 0.000) 1.117 16.259 ( 0.000 -2.456 0.000) 2.456 16.673 ( 0.000 1.490 0.000) 1.490 16.761 ( 0.000 -0.177 0.000) 0.177 17.003 ( 0.000 0.973 0.000) 0.973 17.025 ( 0.000 -1.109 0.000) 1.109 17.154 ( 0.000 1.430 0.000) 1.430 17.212 ( 0.000 -0.179 0.000) 0.179 17.375 ( 0.000 0.280 0.000) 0.280 17.398 ( 0.000 -1.218 0.000) 1.218 18.513 ( 0.000 1.642 0.000) 1.642 18.577 ( 0.000 -0.498 0.000) 0.498 18.605 ( 0.000 0.416 0.000) 0.416 18.657 ( 0.000 0.311 0.000) 0.311 19.367 ( 0.000 -0.020 0.000) 0.020 19.390 ( 0.000 -0.319 0.000) 0.319 20.070 ( 0.000 -1.267 0.000) 1.267 20.084 ( 0.000 -0.320 0.000) 0.320 20.412 ( 0.000 3.672 0.000) 3.672 20.476 ( 0.000 2.027 0.000) 2.027 21.836 ( 0.000 1.733 0.000) 1.733 22.434 ( 0.000 -8.073 0.000) 8.073 24.650 ( 0.000 -0.962 0.000) 0.962 25.067 ( 0.000 -7.638 0.000) 7.638 25.520 ( 0.000 -1.051 0.000) 1.051 25.796 ( 0.000 -1.547 0.000) 1.547 26.281 ( 0.000 8.562 0.000) 8.562 26.317 ( 0.000 2.941 0.000) 2.941 26.534 ( 0.000 16.398 0.000) 16.398 27.676 ( 0.000 -6.677 0.000) 6.677 31.812 ( 0.000 -0.963 0.000) 0.963 31.920 ( 0.000 0.409 0.000) 0.409 31.990 ( 0.000 -2.003 0.000) 2.003 32.555 ( 0.000 -9.619 0.000) 9.619 ======================= Grid point 15 (10/75) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 12.721 18.077 5.895) 22.877 1.412 ( 13.981 16.564 0.638) 21.685 2.083 ( 4.484 -1.355 -10.938) 11.898 2.191 ( -1.929 3.048 3.756) 5.207 2.524 ( -7.614 9.301 -1.247) 12.084 2.574 ( -4.495 3.856 5.731) 8.241 2.798 ( 9.134 5.901 -6.924) 12.892 3.005 ( 5.648 28.302 7.345) 29.780 3.025 ( 4.336 11.625 2.573) 12.672 3.136 ( 0.463 -10.245 -0.682) 10.278 3.457 ( 12.076 5.347 -0.718) 13.227 3.572 ( 9.740 -6.447 -2.151) 11.877 3.731 ( -0.313 -0.541 3.426) 3.483 3.891 ( -2.687 0.329 -3.289) 4.260 3.930 ( -6.224 8.997 -0.275) 10.943 4.182 ( -3.003 -2.451 0.197) 3.881 4.232 ( -2.139 2.209 -0.574) 3.128 4.389 ( 0.784 -3.402 1.832) 3.942 4.482 ( -1.320 -4.850 3.901) 6.363 4.561 ( -5.347 3.883 1.579) 6.794 4.616 ( -1.889 2.097 2.954) 4.086 4.645 ( -1.422 -0.267 -7.788) 7.921 4.740 ( -0.919 -5.630 -1.563) 5.915 4.895 ( 0.907 3.973 5.324) 6.704 5.030 ( -0.373 1.133 3.032) 3.258 5.195 ( -0.092 -1.496 -2.652) 3.046 5.353 ( 3.783 -3.214 -1.639) 5.227 5.396 ( 0.453 -0.722 -3.379) 3.484 5.507 ( -0.814 1.225 -5.241) 5.444 5.515 ( 1.148 -0.293 -3.238) 3.448 5.609 ( -4.250 1.038 5.454) 6.992 5.758 ( 3.109 -5.204 -8.169) 10.173 5.880 ( 5.895 -3.677 5.887) 9.106 5.979 ( 1.496 1.473 -3.710) 4.263 6.082 ( 1.513 -4.214 0.512) 4.507 6.157 ( 0.213 0.509 0.833) 0.999 6.216 ( 1.732 -0.422 3.918) 4.304 6.351 ( 8.947 1.998 -4.281) 10.118 6.452 ( -0.479 -1.505 -1.206) 1.987 6.522 ( 0.986 0.292 -2.869) 3.048 6.648 ( -1.087 -1.136 -0.820) 1.773 6.753 ( 0.208 0.673 -4.524) 4.578 6.795 ( 1.216 3.095 2.864) 4.388 6.877 ( -5.494 -2.602 -4.326) 7.462 7.063 ( -2.187 -2.241 0.213) 3.139 7.129 ( -7.360 1.647 -0.208) 7.544 7.273 ( 1.904 -1.361 -6.167) 6.596 7.334 ( -2.695 4.209 6.086) 7.875 7.424 ( 0.212 -0.513 -1.125) 1.255 7.473 ( 7.239 4.391 11.174) 14.020 7.580 ( 4.435 -5.507 -2.495) 7.498 7.727 ( 2.349 0.211 0.275) 2.374 7.753 ( 3.699 -2.567 0.306) 4.512 7.889 ( -4.489 -3.039 0.092) 5.422 7.943 ( 5.988 -2.909 5.125) 8.402 8.164 ( -1.719 -1.913 -1.251) 2.860 8.183 ( -3.181 -8.809 5.235) 10.730 8.400 ( -2.866 -2.771 1.025) 4.116 8.458 ( -3.008 -1.117 0.819) 3.311 8.575 ( -1.724 0.330 -1.380) 2.233 8.620 ( -1.761 0.631 -4.852) 5.200 8.801 ( -3.885 5.604 4.288) 8.055 9.012 ( -4.270 -2.186 -6.324) 7.937 9.139 ( -5.772 -0.378 -5.057) 7.683 9.237 ( -4.976 -4.507 10.304) 12.298 9.331 ( 0.941 -4.698 1.340) 4.975 9.842 ( 4.426 -7.446 1.936) 8.876 9.928 ( 4.055 -10.504 -1.923) 11.423 10.206 ( -2.543 -3.319 1.018) 4.303 10.335 ( -0.475 0.568 -6.039) 6.084 10.393 ( -3.450 -4.290 1.471) 5.698 10.419 ( -4.015 3.473 0.635) 5.346 10.582 ( 4.892 -1.662 -0.118) 5.168 10.730 ( 3.225 -1.505 3.095) 4.716 10.904 ( -1.428 -0.360 2.256) 2.694 11.027 ( -4.346 5.700 -1.720) 7.372 11.220 ( -3.465 -0.501 -1.349) 3.752 11.507 ( 0.008 0.105 1.313) 1.317 12.928 ( -2.708 1.145 0.102) 2.942 13.048 ( 0.009 -1.021 1.683) 1.968 13.106 ( -1.967 -0.453 -1.343) 2.425 13.259 ( -4.293 -4.200 -0.543) 6.031 13.793 ( -1.441 4.846 -0.433) 5.074 13.857 ( 2.554 2.550 -0.094) 3.611 14.107 ( 4.123 1.877 0.499) 4.558 14.298 ( 1.458 2.207 -0.163) 2.650 16.126 ( -8.392 -1.247 -0.085) 8.485 16.220 ( -5.629 -1.424 0.440) 5.823 16.674 ( 0.167 1.443 -0.068) 1.454 16.755 ( -0.465 0.074 -0.243) 0.530 17.003 ( -1.183 -1.357 2.750) 3.287 17.067 ( 0.930 1.119 1.320) 1.965 17.093 ( 0.951 0.203 -3.131) 3.278 17.265 ( -2.640 -0.575 -3.114) 4.123 17.370 ( 9.877 -2.219 2.078) 10.334 17.543 ( 7.701 -1.057 1.998) 8.026 18.515 ( 0.009 1.684 0.378) 1.726 18.578 ( -0.194 0.225 -0.103) 0.314 18.627 ( 2.235 0.596 -0.101) 2.315 18.667 ( 1.574 0.815 -0.057) 1.773 19.350 ( -1.451 -0.110 -0.441) 1.520 19.376 ( -1.710 -0.143 0.581) 1.812 20.044 ( -1.004 -0.071 0.274) 1.043 20.119 ( 2.621 -2.173 -1.742) 3.824 20.379 ( -2.479 3.345 -0.261) 4.172 20.462 ( -2.054 1.872 0.501) 2.824 21.964 ( 15.415 -1.132 -7.354) 17.117 22.547 ( 9.251 -9.383 3.059) 13.526 24.666 ( 0.915 0.027 0.847) 1.247 25.038 ( -0.058 -7.451 -4.178) 8.542 25.524 ( 0.389 -1.156 0.712) 1.412 25.861 ( 5.522 -2.112 2.321) 6.352 26.244 ( -0.887 8.287 -3.860) 9.185 26.386 ( 6.635 4.648 -1.367) 8.216 26.574 ( -1.855 12.276 10.079) 15.992 27.466 ( -16.531 -0.462 -6.418) 17.739 31.828 ( 3.985 -2.439 -7.281) 8.651 31.925 ( -0.308 -0.037 2.222) 2.244 32.020 ( 1.471 -2.874 4.328) 5.400 32.563 ( 1.837 -9.639 -1.645) 9.950 ======================= Grid point 16 (11/75) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.067 10.352 13.200) 19.564 1.728 ( 19.393 12.359 -5.401) 23.622 1.908 ( -11.541 5.607 -13.753) 18.809 2.188 ( 1.303 -3.352 3.450) 4.983 2.465 ( 10.145 6.075 -7.825) 14.180 2.667 ( 0.741 2.873 13.737) 14.054 2.869 ( 1.841 4.137 -1.711) 4.840 3.127 ( 7.907 0.592 0.826) 7.972 3.161 ( 2.848 10.249 2.497) 10.927 3.234 ( 5.887 25.483 5.344) 26.695 3.548 ( -1.012 8.374 -11.779) 14.488 3.669 ( -4.305 2.279 -1.490) 5.094 3.690 ( 1.950 -4.467 7.884) 9.269 3.824 ( -2.748 2.180 -3.713) 5.108 3.939 ( 4.572 -0.124 5.147) 6.886 4.188 ( -4.155 3.249 2.874) 6.006 4.228 ( 5.237 0.057 1.317) 5.400 4.354 ( -4.674 -0.490 -2.328) 5.244 4.414 ( -3.735 2.212 -3.864) 5.811 4.501 ( -2.455 2.011 3.756) 4.917 4.565 ( -1.730 -0.584 2.975) 3.491 4.568 ( -1.582 0.402 -2.926) 3.350 4.784 ( 3.719 -10.166 -0.544) 10.838 4.982 ( -1.054 4.430 -0.376) 4.569 5.038 ( 4.348 3.400 6.943) 8.870 5.128 ( -0.601 -2.655 -3.828) 4.697 5.335 ( -6.236 -1.037 -4.495) 7.757 5.391 ( 2.714 -6.682 -0.284) 7.218 5.501 ( 5.942 -6.077 -3.452) 9.174 5.546 ( 1.926 -0.517 -3.057) 3.650 5.700 ( 3.107 0.051 4.543) 5.504 5.757 ( 7.261 -4.723 -5.863) 10.459 5.888 ( -1.218 -2.044 -6.059) 6.509 6.003 ( 0.928 1.423 -1.033) 1.988 6.101 ( -2.790 -9.837 5.133) 11.442 6.187 ( -0.326 -3.358 5.464) 6.422 6.274 ( -0.240 3.487 0.249) 3.504 6.308 ( -4.646 4.326 -4.516) 7.791 6.422 ( 0.615 2.007 -3.699) 4.253 6.556 ( 1.515 -1.032 -1.298) 2.246 6.605 ( -1.079 -1.959 -0.688) 2.340 6.765 ( 3.218 0.415 -4.437) 5.496 6.772 ( -0.349 -1.446 -1.995) 2.489 6.889 ( 5.646 -0.130 -0.983) 5.732 7.016 ( -3.406 -0.864 0.116) 3.515 7.074 ( 1.083 -0.164 2.346) 2.589 7.262 ( 1.633 0.422 -0.250) 1.705 7.336 ( -0.564 1.613 0.012) 1.709 7.394 ( -1.113 0.159 0.715) 1.332 7.609 ( -0.424 -2.719 -1.282) 3.036 7.693 ( 3.469 3.073 0.577) 4.671 7.725 ( -3.146 4.861 9.811) 11.392 7.805 ( 3.972 -1.093 -0.855) 4.207 7.894 ( 3.386 -4.130 5.003) 7.317 8.076 ( 0.186 -9.268 1.286) 9.359 8.095 ( -4.266 -4.908 1.125) 6.599 8.222 ( 3.615 -0.711 4.953) 6.173 8.322 ( -6.974 -1.416 -2.181) 7.443 8.366 ( -2.604 -0.644 0.867) 2.820 8.482 ( -2.847 3.052 -5.042) 6.546 8.611 ( -3.108 0.229 -0.145) 3.120 8.725 ( -0.922 -0.204 -1.632) 1.886 8.842 ( -7.404 2.266 -8.254) 11.318 9.055 ( -2.714 0.465 5.119) 5.813 9.269 ( -0.631 -4.260 6.709) 7.972 9.349 ( -0.943 -4.682 1.928) 5.151 9.923 ( 2.943 -4.316 0.692) 5.270 10.006 ( 5.130 -11.945 -1.863) 13.133 10.137 ( -4.835 -1.069 0.429) 4.970 10.215 ( -9.041 0.341 -3.238) 9.609 10.338 ( 4.794 -3.747 -4.044) 7.306 10.452 ( 2.174 -2.104 1.286) 3.288 10.692 ( 6.148 -1.197 0.272) 6.269 10.790 ( 0.723 0.727 2.703) 2.891 10.876 ( -3.950 1.142 1.922) 4.539 10.935 ( -3.913 0.744 -0.038) 3.983 11.159 ( -1.521 1.100 -2.757) 3.336 11.471 ( -4.679 0.378 1.031) 4.806 12.819 ( -8.738 0.746 1.136) 8.843 12.958 ( -7.888 -1.309 2.210) 8.295 13.108 ( 3.269 1.669 -3.329) 4.955 13.261 ( 1.890 -0.023 0.466) 1.947 13.780 ( 1.665 2.885 0.096) 3.333 13.910 ( 1.802 1.184 0.059) 2.157 14.192 ( 4.080 1.657 0.427) 4.425 14.322 ( 1.314 2.381 -0.377) 2.746 15.976 ( -6.753 -0.624 -0.692) 6.817 16.090 ( -8.356 -0.907 0.963) 8.460 16.678 ( 0.314 1.516 0.045) 1.549 16.744 ( -0.218 0.299 -0.558) 0.670 16.980 ( -2.844 0.976 1.242) 3.253 17.085 ( 1.111 -3.176 1.174) 3.564 17.134 ( 2.937 0.220 -0.726) 3.033 17.209 ( -0.480 -0.566 -2.606) 2.709 17.572 ( 9.646 -3.836 0.784) 10.410 17.687 ( 5.777 -2.040 1.600) 6.332 18.521 ( 0.197 1.933 0.368) 1.978 18.567 ( -0.630 1.608 -0.137) 1.733 18.671 ( 2.434 1.031 -0.223) 2.653 18.713 ( 2.948 0.693 0.128) 3.031 19.315 ( -1.645 -0.115 -0.385) 1.693 19.345 ( -2.152 -0.075 0.564) 2.225 20.041 ( 0.020 -0.480 0.515) 0.704 20.137 ( 1.328 -2.868 -1.800) 3.637 20.336 ( -1.958 2.799 -0.024) 3.415 20.423 ( -2.272 1.639 0.450) 2.838 22.159 ( 12.869 -2.221 -8.072) 15.352 22.762 ( 8.246 -12.437 5.413) 15.874 24.692 ( 1.051 3.025 0.768) 3.293 25.011 ( 2.203 -7.895 -5.171) 9.691 25.552 ( 1.643 -2.038 0.908) 2.771 26.020 ( 8.049 -4.496 3.585) 9.892 26.190 ( -0.520 10.358 -3.349) 10.899 26.493 ( 5.022 9.805 -0.048) 11.017 26.630 ( -2.912 2.970 8.937) 9.858 27.072 ( -16.873 5.795 -7.291) 19.273 31.798 ( 0.648 -1.811 -5.854) 6.162 31.949 ( -0.728 -1.899 3.768) 4.281 32.114 ( 4.646 -4.520 1.493) 6.652 32.590 ( 2.209 -11.084 -0.783) 11.329 ======================= Grid point 17 (12/75) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -8.725 8.868 -7.146) 14.347 1.942 ( 6.566 4.556 6.242) 10.141 1.970 ( 8.114 11.005 -2.307) 13.866 2.254 ( 1.602 -6.304 2.467) 6.956 2.603 ( 6.868 3.097 -2.520) 7.944 2.804 ( 1.680 -1.590 6.079) 6.504 2.867 ( 0.962 2.522 -1.510) 3.093 3.126 ( -3.648 19.623 -3.279) 20.226 3.263 ( 1.834 17.058 7.737) 18.820 3.392 ( -0.493 12.013 -0.293) 12.027 3.470 ( 10.990 8.233 -6.206) 15.068 3.591 ( -3.321 4.330 6.031) 8.133 3.690 ( -5.753 -3.192 -4.511) 7.977 3.757 ( -3.002 0.922 -1.633) 3.539 3.965 ( -1.950 3.016 2.768) 4.535 4.185 ( 1.317 0.898 1.024) 1.894 4.225 ( -0.943 1.598 -4.282) 4.667 4.310 ( 0.131 -3.832 3.790) 5.391 4.382 ( -1.586 -2.240 -4.759) 5.494 4.503 ( -2.894 4.460 2.245) 5.771 4.561 ( 0.021 5.316 3.152) 6.180 4.641 ( 8.170 0.583 4.448) 9.320 4.831 ( 0.842 -12.431 -0.067) 12.460 4.959 ( 1.327 2.786 -2.716) 4.111 5.093 ( 0.249 -1.600 -1.331) 2.096 5.151 ( -5.783 -2.014 -4.468) 7.580 5.251 ( 6.416 2.938 4.150) 8.186 5.412 ( -0.013 -6.224 -2.009) 6.540 5.497 ( -0.445 -0.788 -1.228) 1.525 5.603 ( 6.056 -8.843 -0.040) 10.718 5.729 ( -0.966 -1.733 -2.473) 3.171 5.842 ( 1.526 -8.893 1.898) 9.220 5.859 ( 1.710 -1.714 -2.544) 3.512 5.977 ( -1.642 5.472 -3.977) 6.961 6.040 ( -5.868 -3.701 2.757) 7.465 6.100 ( -7.492 3.866 1.323) 8.534 6.266 ( 2.965 -0.713 3.157) 4.389 6.310 ( 3.742 1.641 -5.035) 6.484 6.419 ( -1.502 -1.853 1.817) 2.999 6.558 ( 0.244 0.391 3.978) 4.005 6.576 ( -1.913 -8.023 -1.821) 8.446 6.678 ( -2.811 1.771 -3.423) 4.770 6.857 ( 4.033 -2.338 -2.005) 5.075 6.938 ( 2.451 -1.855 -2.860) 4.198 7.010 ( 2.175 -4.884 0.727) 5.395 7.118 ( 1.490 -0.926 -0.385) 1.796 7.283 ( -2.495 2.350 2.598) 4.301 7.292 ( -2.644 1.292 -0.242) 2.952 7.491 ( 6.680 0.806 2.832) 7.300 7.562 ( 0.326 -0.454 2.253) 2.321 7.668 ( -1.204 0.830 -3.539) 3.829 7.764 ( -2.000 0.520 -0.922) 2.263 7.902 ( 0.770 -0.406 5.827) 5.892 7.946 ( -0.454 0.946 -0.521) 1.172 8.030 ( -3.213 -4.824 0.008) 5.796 8.127 ( 3.530 -5.324 2.946) 7.035 8.191 ( -2.653 -0.972 4.674) 5.461 8.286 ( -2.347 1.149 -2.731) 3.780 8.412 ( 4.786 3.009 3.315) 6.553 8.432 ( 2.386 1.964 -4.489) 5.450 8.501 ( -3.675 2.598 -3.766) 5.868 8.617 ( -7.870 5.714 -3.250) 10.255 8.756 ( 1.704 -3.252 -0.513) 3.707 9.079 ( -0.688 -2.719 3.590) 4.556 9.305 ( -0.538 -0.064 1.285) 1.394 9.353 ( -0.086 -9.853 1.647) 9.990 9.967 ( 2.157 -3.341 -0.529) 4.012 10.023 ( -3.653 -5.219 0.147) 6.372 10.066 ( -1.391 -3.523 -1.934) 4.253 10.082 ( -0.720 0.359 -1.186) 1.433 10.398 ( 3.921 -7.756 -2.387) 9.013 10.500 ( 0.691 -4.596 2.147) 5.120 10.771 ( 1.640 -2.415 0.306) 2.935 10.813 ( 0.191 7.006 -1.449) 7.157 10.846 ( -0.587 -0.343 3.387) 3.454 10.881 ( -1.686 -2.016 -0.342) 2.650 11.110 ( -1.130 1.804 -1.438) 2.569 11.392 ( -3.460 0.344 0.353) 3.495 12.700 ( -4.077 0.164 0.580) 4.122 12.865 ( -3.172 -3.634 0.674) 4.870 13.146 ( 2.427 6.793 -1.369) 7.343 13.277 ( -0.334 2.821 0.536) 2.891 13.844 ( 4.428 -0.056 -0.099) 4.430 13.908 ( -2.229 0.107 0.287) 2.250 14.249 ( 1.614 1.506 0.132) 2.211 14.336 ( 0.478 2.552 -0.206) 2.604 15.889 ( -1.946 0.178 -0.568) 2.035 15.974 ( -4.228 -1.060 0.650) 4.407 16.684 ( 0.161 1.724 0.085) 1.734 16.736 ( -0.071 0.336 -0.358) 0.497 16.950 ( -1.045 1.695 0.261) 2.008 17.110 ( 0.300 -6.034 0.920) 6.111 17.170 ( 1.480 0.530 -0.229) 1.589 17.187 ( -0.156 0.335 -1.194) 1.250 17.706 ( 4.165 -3.989 -0.097) 5.769 17.771 ( 1.908 -2.921 0.837) 3.588 18.527 ( 0.145 2.220 0.151) 2.230 18.557 ( -0.277 2.161 -0.067) 2.180 18.701 ( 0.957 1.424 -0.116) 1.719 18.757 ( 1.358 0.518 0.093) 1.456 19.292 ( -0.581 0.011 -0.154) 0.602 19.318 ( -1.056 -0.231 0.234) 1.106 20.047 ( 0.041 -0.838 0.327) 0.901 20.138 ( 0.333 -3.269 -0.781) 3.378 20.310 ( -0.797 2.633 0.016) 2.750 20.398 ( -0.788 1.559 0.177) 1.756 22.259 ( 4.385 -1.009 -3.294) 5.577 22.910 ( 2.843 -15.491 2.841) 16.003 24.716 ( 0.789 5.489 0.285) 5.552 25.008 ( 1.209 -8.089 -2.271) 8.488 25.589 ( 1.191 -3.081 0.335) 3.320 26.122 ( -0.244 -0.255 -0.005) 0.353 26.260 ( 10.552 5.421 0.971) 11.903 26.491 ( -9.655 9.566 3.947) 14.154 26.657 ( 3.559 4.004 -2.360) 5.854 26.792 ( -7.357 5.497 -1.578) 9.318 31.761 ( -0.112 -1.149 -1.989) 2.299 31.966 ( -0.333 -3.224 1.601) 3.615 32.188 ( 2.144 -4.527 0.177) 5.012 32.617 ( 0.942 -13.234 0.014) 13.267 ======================= Grid point 21 (13/75) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.000 1.202 0.000) 1.202 1.595 ( 0.000 17.709 0.000) 17.709 2.077 ( 0.000 -10.082 0.000) 10.082 2.321 ( 0.000 15.495 0.000) 15.495 2.467 ( 0.000 -9.899 0.000) 9.899 2.804 ( 0.000 5.760 0.000) 5.760 2.851 ( 0.000 7.206 0.000) 7.206 2.896 ( 0.000 -4.594 0.000) 4.594 3.158 ( 0.000 8.844 0.000) 8.844 3.263 ( 0.000 -9.443 0.000) 9.443 3.496 ( 0.000 7.920 0.000) 7.920 3.722 ( 0.000 26.123 0.000) 26.123 3.729 ( 0.000 4.266 0.000) 4.266 3.893 ( 0.000 -5.575 0.000) 5.575 4.173 ( 0.000 -7.372 0.000) 7.372 4.173 ( 0.000 4.024 0.000) 4.024 4.249 ( 0.000 -2.748 0.000) 2.748 4.336 ( 0.000 4.230 0.000) 4.230 4.504 ( 0.000 -2.453 0.000) 2.453 4.593 ( 0.000 0.728 0.000) 0.728 4.621 ( 0.000 23.858 0.000) 23.858 4.644 ( 0.000 0.044 0.000) 0.044 4.804 ( 0.000 0.848 0.000) 0.848 4.991 ( 0.000 -1.815 0.000) 1.815 5.079 ( 0.000 4.745 0.000) 4.745 5.144 ( 0.000 -3.936 0.000) 3.936 5.247 ( 0.000 -5.398 0.000) 5.398 5.382 ( 0.000 -0.563 0.000) 0.563 5.453 ( 0.000 -3.720 0.000) 3.720 5.575 ( 0.000 -3.562 0.000) 3.562 5.656 ( 0.000 -5.276 0.000) 5.276 5.757 ( 0.000 6.529 0.000) 6.529 5.871 ( 0.000 -0.684 0.000) 0.684 5.928 ( 0.000 2.133 0.000) 2.133 5.980 ( 0.000 2.019 0.000) 2.019 6.053 ( 0.000 -5.160 0.000) 5.160 6.090 ( 0.000 -6.286 0.000) 6.286 6.414 ( 0.000 -0.734 0.000) 0.734 6.422 ( 0.000 -5.478 0.000) 5.478 6.459 ( 0.000 6.466 0.000) 6.466 6.648 ( 0.000 -2.174 0.000) 2.174 6.797 ( 0.000 3.475 0.000) 3.475 6.811 ( 0.000 -9.338 0.000) 9.338 6.920 ( 0.000 8.951 0.000) 8.951 7.161 ( 0.000 -5.505 0.000) 5.505 7.207 ( 0.000 8.352 0.000) 8.352 7.322 ( 0.000 -7.163 0.000) 7.163 7.324 ( 0.000 -1.937 0.000) 1.937 7.354 ( 0.000 -0.841 0.000) 0.841 7.405 ( 0.000 6.132 0.000) 6.132 7.530 ( 0.000 4.397 0.000) 4.397 7.561 ( 0.000 -4.326 0.000) 4.326 7.704 ( 0.000 -0.141 0.000) 0.141 7.767 ( 0.000 -2.171 0.000) 2.171 7.961 ( 0.000 -3.184 0.000) 3.184 7.979 ( 0.000 -10.852 0.000) 10.852 8.206 ( 0.000 2.569 0.000) 2.569 8.415 ( 0.000 1.703 0.000) 1.703 8.431 ( 0.000 1.633 0.000) 1.633 8.588 ( 0.000 -3.681 0.000) 3.681 8.711 ( 0.000 -1.930 0.000) 1.930 8.929 ( 0.000 0.627 0.000) 0.627 9.018 ( 0.000 -4.390 0.000) 4.390 9.068 ( 0.000 -1.186 0.000) 1.186 9.169 ( 0.000 -5.358 0.000) 5.358 9.207 ( 0.000 -2.284 0.000) 2.284 9.665 ( 0.000 -1.415 0.000) 1.415 9.748 ( 0.000 -5.365 0.000) 5.365 10.110 ( 0.000 -7.506 0.000) 7.506 10.173 ( 0.000 -12.922 0.000) 12.922 10.439 ( 0.000 -2.034 0.000) 2.034 10.440 ( 0.000 -0.437 0.000) 0.437 10.592 ( 0.000 0.050 0.000) 0.050 10.622 ( 0.000 2.548 0.000) 2.548 10.995 ( 0.000 5.872 0.000) 5.872 11.192 ( 0.000 4.684 0.000) 4.684 11.256 ( 0.000 -0.318 0.000) 0.318 11.473 ( 0.000 -1.144 0.000) 1.144 12.921 ( 0.000 -0.943 0.000) 0.943 12.975 ( 0.000 -0.038 0.000) 0.038 13.179 ( 0.000 0.757 0.000) 0.757 13.275 ( 0.000 -2.487 0.000) 2.487 13.837 ( 0.000 2.668 0.000) 2.668 13.923 ( 0.000 1.525 0.000) 1.525 14.120 ( 0.000 3.830 0.000) 3.830 14.312 ( 0.000 0.250 0.000) 0.250 16.202 ( 0.000 -1.329 0.000) 1.329 16.209 ( 0.000 -2.076 0.000) 2.076 16.707 ( 0.000 1.503 0.000) 1.503 16.754 ( 0.000 -0.474 0.000) 0.474 17.019 ( 0.000 0.552 0.000) 0.552 17.029 ( 0.000 1.367 0.000) 1.367 17.185 ( 0.000 1.523 0.000) 1.523 17.230 ( 0.000 1.771 0.000) 1.771 17.352 ( 0.000 -2.947 0.000) 2.947 17.367 ( 0.000 -1.073 0.000) 1.073 18.544 ( 0.000 1.186 0.000) 1.186 18.570 ( 0.000 -0.209 0.000) 0.209 18.616 ( 0.000 0.709 0.000) 0.709 18.660 ( 0.000 -0.127 0.000) 0.127 19.368 ( 0.000 0.111 0.000) 0.111 19.383 ( 0.000 -0.314 0.000) 0.314 20.043 ( 0.000 -1.156 0.000) 1.156 20.068 ( 0.000 -1.189 0.000) 1.189 20.484 ( 0.000 2.965 0.000) 2.965 20.517 ( 0.000 1.636 0.000) 1.636 21.886 ( 0.000 3.141 0.000) 3.141 22.258 ( 0.000 -8.347 0.000) 8.347 24.644 ( 0.000 0.562 0.000) 0.562 24.907 ( 0.000 -7.330 0.000) 7.330 25.505 ( 0.000 -0.065 0.000) 0.065 25.717 ( 0.000 -5.253 0.000) 5.253 26.415 ( 0.000 5.670 0.000) 5.670 26.445 ( 0.000 6.497 0.000) 6.497 26.875 ( 0.000 15.304 0.000) 15.304 27.531 ( 0.000 -7.157 0.000) 7.157 31.808 ( 0.000 0.664 0.000) 0.664 31.940 ( 0.000 1.733 0.000) 1.733 31.940 ( 0.000 -2.635 0.000) 2.635 32.342 ( 0.000 -10.233 0.000) 10.233 ======================= Grid point 22 (14/75) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 5.491 1.553 9.328) 10.935 1.714 ( 14.446 15.286 -4.253) 21.458 2.073 ( 1.550 -5.671 -4.096) 7.165 2.237 ( -2.924 4.138 -4.247) 6.612 2.556 ( -2.400 -4.527 10.029) 11.262 2.742 ( 1.758 13.893 -7.357) 15.818 2.845 ( -2.725 -3.289 2.704) 5.055 2.942 ( 6.133 2.395 0.073) 6.584 3.215 ( 2.950 7.294 4.462) 9.045 3.331 ( 5.899 -8.038 1.287) 10.054 3.590 ( 8.239 5.550 -3.301) 10.468 3.700 ( -0.212 4.776 -2.595) 5.439 3.790 ( 7.619 18.537 -1.449) 20.094 3.937 ( 2.115 3.071 0.888) 3.833 4.126 ( 1.032 -0.477 -1.568) 1.936 4.192 ( -1.080 -8.079 3.830) 9.006 4.227 ( -0.245 3.750 4.143) 5.593 4.346 ( -5.097 9.334 1.438) 10.732 4.509 ( -2.679 -0.299 3.688) 4.568 4.545 ( -4.702 10.529 -2.584) 11.817 4.613 ( -0.863 -2.234 4.498) 5.096 4.675 ( -0.761 2.303 -5.706) 6.200 4.727 ( -4.811 2.366 -2.679) 5.994 4.940 ( 1.290 -1.059 1.272) 2.098 5.065 ( -0.491 -0.152 -0.359) 0.627 5.130 ( -3.801 -3.213 5.129) 7.147 5.270 ( 1.284 -4.405 -3.930) 6.041 5.398 ( -3.699 -6.883 -8.297) 11.398 5.428 ( 3.298 3.713 0.187) 4.970 5.544 ( 3.060 -3.701 2.603) 5.462 5.624 ( -3.781 4.673 -4.686) 7.622 5.685 ( 0.487 -4.033 2.542) 4.792 5.853 ( -0.293 2.021 -0.742) 2.173 5.936 ( -4.734 -5.153 -6.089) 9.276 6.026 ( 3.665 1.858 0.757) 4.178 6.115 ( 1.213 -3.143 5.790) 6.699 6.241 ( 13.157 1.521 3.537) 13.709 6.416 ( 1.444 -2.610 1.575) 3.373 6.433 ( 0.136 -0.810 -2.821) 2.939 6.497 ( 3.764 4.219 -0.625) 5.688 6.618 ( -1.996 -0.983 -1.603) 2.742 6.715 ( -2.007 -6.485 -3.765) 7.762 6.844 ( 1.332 3.231 -5.162) 6.234 6.948 ( 0.736 3.287 -4.140) 5.337 7.022 ( -2.091 3.951 4.671) 6.466 7.152 ( -4.340 -1.760 -2.993) 5.558 7.261 ( -6.797 -0.345 -2.294) 7.182 7.366 ( 5.400 -0.497 -7.964) 9.635 7.428 ( -3.963 -1.342 -0.486) 4.212 7.442 ( 2.238 -6.993 5.612) 9.241 7.558 ( 6.670 5.094 13.936) 16.267 7.688 ( 3.295 -0.715 5.160) 6.164 7.708 ( 2.438 -2.432 -0.548) 3.487 7.808 ( 1.002 -2.335 -1.389) 2.896 7.903 ( 0.814 -4.369 -1.313) 4.634 7.998 ( -2.732 -5.422 4.852) 7.772 8.189 ( -0.049 1.113 -1.868) 2.174 8.378 ( -3.717 0.773 1.366) 4.034 8.451 ( 0.128 0.693 1.046) 1.261 8.535 ( -2.763 -2.750 -3.222) 5.057 8.653 ( -2.640 -0.394 -5.161) 5.810 8.895 ( -6.183 1.667 3.974) 7.537 8.968 ( -2.015 -1.209 -4.105) 4.730 9.045 ( 0.514 -5.610 -3.542) 6.655 9.157 ( -6.883 -2.685 9.213) 11.809 9.252 ( 3.217 -3.113 -0.812) 4.550 9.709 ( 3.065 -4.452 1.724) 5.673 9.769 ( 2.388 -3.883 0.943) 4.655 10.089 ( -1.301 -7.215 0.612) 7.357 10.209 ( 0.821 -9.900 1.444) 10.038 10.369 ( -1.898 0.056 -5.456) 5.777 10.470 ( 0.463 -0.791 1.240) 1.542 10.545 ( -1.007 0.611 -1.224) 1.699 10.693 ( 3.241 -1.141 2.144) 4.050 10.970 ( -3.203 4.948 1.721) 6.140 11.130 ( -6.275 3.117 -0.347) 7.015 11.235 ( 0.215 2.719 -2.261) 3.543 11.493 ( 0.682 -1.616 -0.422) 1.804 12.945 ( -0.040 0.832 0.240) 0.867 13.030 ( 2.375 -0.820 2.150) 3.307 13.106 ( -4.179 0.235 -1.596) 4.479 13.182 ( -5.715 -3.032 -1.107) 6.563 13.874 ( 1.712 2.820 0.537) 3.342 13.913 ( -0.399 2.355 0.125) 2.392 14.158 ( 3.785 3.087 -0.037) 4.884 14.325 ( 1.581 0.173 -0.523) 1.675 16.106 ( -7.537 -0.518 0.231) 7.558 16.183 ( -4.644 -2.060 -0.179) 5.083 16.708 ( 0.036 1.566 0.268) 1.589 16.754 ( 0.020 -0.118 -0.033) 0.124 16.987 ( -1.410 0.174 0.935) 1.701 17.081 ( 2.837 -0.410 -1.411) 3.195 17.118 ( -2.129 2.446 -1.256) 3.477 17.250 ( -2.774 -1.011 -2.039) 3.588 17.354 ( 7.492 0.465 2.145) 7.807 17.501 ( 6.644 -2.759 2.196) 7.521 18.547 ( 0.292 1.278 0.220) 1.329 18.580 ( 0.705 0.035 0.199) 0.734 18.641 ( 2.550 0.780 -0.113) 2.669 18.676 ( 2.057 0.109 -0.319) 2.084 19.351 ( -1.516 0.137 -0.357) 1.563 19.371 ( -1.581 -0.324 0.513) 1.693 20.036 ( -0.376 -0.553 -0.145) 0.685 20.077 ( 0.748 -1.834 -0.199) 1.990 20.448 ( -3.018 2.959 -0.085) 4.228 20.497 ( -2.375 1.342 0.330) 2.748 21.977 ( 10.053 2.091 -2.403) 10.545 22.346 ( 7.559 -9.275 1.800) 12.100 24.662 ( 1.624 0.195 0.657) 1.763 24.888 ( -0.591 -6.680 -1.921) 6.976 25.512 ( 0.551 0.223 0.538) 0.801 25.769 ( 5.277 -6.160 -0.419) 8.122 26.410 ( 0.125 7.292 -0.737) 7.330 26.490 ( 5.247 5.112 -1.140) 7.413 26.866 ( -4.055 13.764 5.389) 15.328 27.412 ( -10.165 -4.100 -3.573) 11.528 31.801 ( 1.141 -0.137 -3.883) 4.049 31.925 ( -2.870 -1.026 3.607) 4.722 31.971 ( 2.427 -0.531 0.889) 2.639 32.348 ( 1.110 -10.221 -0.990) 10.328 ======================= Grid point 23 (15/75) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 5.819 0.609 7.251) 9.317 1.949 ( 6.866 7.730 -4.312) 11.202 2.009 ( 0.335 3.655 -0.640) 3.725 2.193 ( 5.269 4.651 -4.897) 8.566 2.553 ( 0.673 -0.945 -0.668) 1.338 2.796 ( 6.083 7.759 0.253) 9.863 2.846 ( -1.696 0.152 4.261) 4.589 3.101 ( 11.774 0.010 -1.076) 11.823 3.322 ( 3.523 3.428 5.423) 7.319 3.436 ( 2.452 -7.881 1.578) 8.403 3.667 ( 4.969 6.097 -3.402) 8.569 3.753 ( 4.130 11.252 6.487) 13.629 3.872 ( 3.687 10.527 -8.513) 14.031 3.970 ( 1.043 3.936 3.633) 5.457 4.057 ( -14.055 13.329 -4.955) 19.994 4.206 ( -2.524 -2.512 3.786) 5.198 4.242 ( 2.888 -2.996 1.390) 4.387 4.358 ( 1.573 7.822 3.170) 8.586 4.403 ( -7.616 -1.483 -3.441) 8.488 4.491 ( 1.469 -5.023 3.421) 6.253 4.555 ( 1.606 1.786 0.501) 2.453 4.625 ( -3.416 6.574 1.962) 7.664 4.692 ( 0.258 0.434 -0.324) 0.600 4.989 ( -0.689 -4.706 0.138) 4.758 5.093 ( 1.123 -0.492 -2.384) 2.680 5.142 ( 2.776 -1.227 -0.026) 3.035 5.215 ( -0.769 -5.856 2.078) 6.261 5.269 ( -3.778 -2.646 -3.284) 5.662 5.472 ( 2.647 3.818 -4.123) 6.211 5.559 ( 0.086 -0.729 -2.601) 2.702 5.625 ( 1.786 -3.168 -0.180) 3.642 5.704 ( -4.373 -8.248 4.026) 10.167 5.771 ( -0.810 -3.541 -10.163) 10.793 5.909 ( 4.593 -0.244 7.486) 8.786 6.120 ( 4.461 3.402 1.632) 5.843 6.185 ( -0.946 2.666 5.214) 5.932 6.332 ( -1.021 2.254 0.179) 2.481 6.364 ( -1.880 -2.656 -6.080) 6.896 6.485 ( 0.394 2.852 0.791) 2.986 6.543 ( -3.784 1.735 -1.233) 4.341 6.561 ( 3.520 -0.290 -6.600) 7.486 6.727 ( 5.730 -1.962 -0.650) 6.092 6.806 ( 1.444 4.634 -5.942) 7.672 6.918 ( 3.019 -0.727 -7.529) 8.144 6.975 ( -6.572 1.230 -0.194) 6.689 7.079 ( -3.515 -0.893 3.372) 4.952 7.243 ( 2.550 -1.897 5.628) 6.464 7.329 ( -2.634 -2.668 -0.591) 3.795 7.382 ( 2.307 -0.735 -5.268) 5.798 7.509 ( 0.030 -6.383 3.982) 7.523 7.664 ( -0.948 -7.555 -1.411) 7.744 7.734 ( -1.801 -0.373 -2.657) 3.232 7.781 ( -0.028 -1.082 6.594) 6.683 7.860 ( 6.727 0.167 7.107) 9.787 7.968 ( 1.583 -2.333 5.685) 6.346 8.053 ( 2.619 3.018 -0.682) 4.054 8.194 ( 1.969 -4.245 4.115) 6.231 8.302 ( -5.352 1.174 1.115) 5.592 8.402 ( -1.560 2.727 -3.352) 4.594 8.543 ( 2.683 -3.379 0.829) 4.393 8.559 ( -0.984 2.951 -3.689) 4.825 8.783 ( -6.404 3.519 -2.001) 7.576 8.893 ( -0.914 1.097 -5.197) 5.389 8.993 ( -5.141 -5.911 0.330) 7.841 9.136 ( -2.117 -4.689 5.399) 7.458 9.274 ( -1.183 -4.422 1.147) 4.719 9.780 ( 3.168 -7.394 0.632) 8.069 9.846 ( 3.122 -3.248 2.381) 5.096 10.080 ( -1.238 -3.869 1.622) 4.374 10.183 ( -4.137 -3.473 -0.935) 5.481 10.296 ( 0.017 -0.378 -4.885) 4.900 10.458 ( -0.014 2.403 -1.625) 2.901 10.572 ( 1.672 -7.298 2.126) 7.783 10.767 ( 3.186 -2.465 1.430) 4.274 10.930 ( -2.596 3.898 1.571) 4.940 11.010 ( -5.322 3.216 -0.904) 6.283 11.210 ( -0.710 3.851 -2.342) 4.563 11.460 ( -3.750 -1.601 -0.256) 4.086 12.833 ( -10.249 0.690 1.724) 10.416 12.921 ( -10.694 -2.132 1.899) 11.068 13.139 ( 7.990 1.538 -3.535) 8.871 13.243 ( 7.814 -1.415 -0.504) 7.957 13.860 ( -2.018 3.992 1.241) 4.642 13.935 ( 0.610 1.019 0.193) 1.203 14.233 ( 3.905 2.248 -0.044) 4.507 14.351 ( 1.695 0.247 -0.716) 1.857 15.973 ( -6.253 0.351 -0.201) 6.266 16.064 ( -7.480 -1.566 0.271) 7.647 16.715 ( 0.263 1.744 0.657) 1.882 16.753 ( 0.078 0.501 -0.512) 0.721 16.981 ( -1.292 -0.792 2.242) 2.706 17.045 ( -0.541 -0.560 -4.150) 4.223 17.143 ( 2.054 0.773 0.457) 2.242 17.207 ( -0.512 -0.100 -1.001) 1.129 17.518 ( 7.832 -1.228 1.281) 8.031 17.628 ( 4.841 -3.319 1.750) 6.125 18.558 ( 0.680 1.568 0.191) 1.720 18.591 ( 0.230 0.678 0.133) 0.729 18.693 ( 2.877 1.015 -0.189) 3.057 18.723 ( 3.005 0.237 -0.210) 3.022 19.316 ( -1.680 0.160 -0.268) 1.708 19.340 ( -2.178 -0.373 0.480) 2.262 20.030 ( -0.235 -0.469 0.154) 0.547 20.082 ( 0.137 -2.287 -0.520) 2.349 20.396 ( -2.289 2.685 -0.099) 3.530 20.452 ( -2.515 0.997 0.385) 2.733 22.146 ( 9.986 0.931 -2.901) 10.441 22.512 ( 6.981 -10.890 2.513) 13.177 24.714 ( 2.762 -0.151 1.306) 3.059 24.866 ( 1.094 -5.785 -3.212) 6.707 25.533 ( 0.918 0.477 0.873) 1.354 25.874 ( 5.952 -8.488 -0.421) 10.375 26.419 ( 2.674 10.096 -1.665) 10.576 26.599 ( 7.229 3.298 -0.674) 7.975 26.821 ( -8.175 10.879 7.198) 15.395 27.146 ( -12.933 1.323 -4.665) 13.813 31.775 ( 0.133 -0.246 -3.396) 3.407 31.908 ( -2.302 -2.276 2.749) 4.246 32.041 ( 3.525 -1.840 1.383) 4.210 32.357 ( 0.700 -10.507 -0.946) 10.572 ======================= Grid point 24 (16/75) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -5.695 6.530 -4.104) 9.587 2.001 ( 2.743 -0.805 4.524) 5.351 2.144 ( 4.280 7.325 -0.049) 8.484 2.276 ( 5.307 7.408 -2.498) 9.448 2.570 ( 0.346 -3.921 0.526) 3.972 2.854 ( -0.951 0.433 1.830) 2.108 2.926 ( 7.025 6.302 -1.191) 9.512 3.317 ( 11.548 0.139 0.068) 11.549 3.441 ( -3.028 -8.054 3.236) 9.193 3.466 ( 3.333 0.780 5.594) 6.559 3.678 ( -4.613 10.024 -7.101) 13.122 3.723 ( -6.348 7.766 -3.980) 10.791 3.788 ( -2.941 12.133 4.289) 13.201 3.938 ( 7.000 12.105 -3.832) 14.499 4.065 ( 1.610 8.518 4.086) 9.584 4.199 ( -5.592 -3.193 6.662) 9.265 4.235 ( 1.473 3.067 -3.386) 4.800 4.244 ( -1.358 0.068 -2.596) 2.931 4.343 ( -3.164 0.368 -2.638) 4.136 4.580 ( 2.741 -2.162 -0.206) 3.497 4.595 ( -3.861 2.729 6.576) 8.099 4.660 ( -0.095 0.693 -3.152) 3.228 4.760 ( 10.150 2.347 6.462) 12.259 4.959 ( -3.381 -2.241 -3.929) 5.647 5.022 ( -2.260 -5.238 -3.306) 6.593 5.107 ( 0.064 -1.610 -1.037) 1.916 5.276 ( 3.358 -8.839 2.992) 9.917 5.328 ( 2.989 2.570 3.929) 5.566 5.439 ( -0.697 -0.374 -3.128) 3.226 5.490 ( -3.990 -5.808 -6.271) 9.433 5.572 ( -3.663 -7.347 0.384) 8.219 5.702 ( 2.184 -5.983 2.554) 6.862 5.746 ( 1.268 -1.237 -2.495) 3.060 6.084 ( 4.063 3.004 3.336) 6.054 6.163 ( 2.128 7.554 0.344) 7.855 6.215 ( -2.970 6.385 6.169) 9.362 6.305 ( 1.305 -3.441 -1.651) 4.034 6.333 ( 1.021 0.505 1.568) 1.938 6.389 ( -5.158 -3.016 -9.183) 10.956 6.421 ( -3.708 1.182 -3.657) 5.340 6.595 ( 0.815 4.401 2.307) 5.035 6.717 ( -0.792 2.023 -5.389) 5.811 6.792 ( -0.162 0.121 0.858) 0.882 6.916 ( 1.375 -0.524 -0.896) 1.723 6.924 ( 0.252 -1.665 -0.110) 1.687 7.102 ( 0.396 -1.269 0.259) 1.354 7.267 ( -1.094 -1.465 0.119) 1.833 7.307 ( -1.122 -4.248 0.623) 4.438 7.468 ( 8.812 -3.271 1.488) 9.517 7.536 ( 0.361 -0.260 1.880) 1.932 7.627 ( -4.377 -7.379 -0.976) 8.635 7.698 ( 1.572 -0.671 -1.462) 2.249 7.823 ( -0.131 -3.243 2.560) 4.133 7.949 ( -3.083 -4.738 1.731) 5.912 7.987 ( -0.928 0.145 -1.569) 1.829 8.044 ( -0.922 1.444 -0.364) 1.751 8.251 ( 0.303 3.142 9.303) 9.824 8.317 ( -0.731 -0.969 0.962) 1.549 8.422 ( 5.491 1.892 -2.080) 6.169 8.547 ( 4.483 5.084 -3.117) 7.461 8.584 ( 0.886 3.606 -0.476) 3.744 8.704 ( 0.740 -0.766 -0.855) 1.366 8.754 ( -9.277 5.665 -3.138) 11.314 8.972 ( 1.342 -7.058 0.926) 7.244 9.148 ( -0.707 -7.533 1.449) 7.704 9.240 ( -2.798 -6.499 0.908) 7.133 9.827 ( 1.331 -6.915 0.175) 7.044 9.902 ( 0.991 -4.699 1.379) 4.997 10.063 ( -1.532 -0.050 -1.025) 1.844 10.091 ( -2.511 0.549 -0.495) 2.618 10.280 ( 1.135 -2.794 -1.521) 3.378 10.458 ( 0.537 1.141 -0.351) 1.308 10.603 ( -0.011 -9.388 1.170) 9.461 10.828 ( 1.558 -3.695 0.662) 4.064 10.910 ( -0.913 3.583 0.784) 3.780 10.939 ( -1.083 3.987 -1.008) 4.252 11.175 ( -0.770 4.190 -0.930) 4.360 11.383 ( -3.233 -1.252 -0.033) 3.467 12.703 ( -4.386 0.084 0.671) 4.437 12.790 ( -4.241 -3.349 0.596) 5.437 13.256 ( 6.637 3.769 -2.103) 7.917 13.324 ( 0.357 1.538 0.663) 1.712 13.864 ( 1.444 1.710 0.504) 2.294 13.919 ( -2.251 0.623 0.298) 2.355 14.284 ( 1.551 1.851 -0.040) 2.415 14.368 ( 0.664 0.460 -0.333) 0.874 15.898 ( -1.565 0.578 -0.279) 1.691 15.952 ( -4.139 -1.024 0.304) 4.274 16.727 ( 0.189 2.097 0.741) 2.232 16.747 ( 0.007 0.714 -0.728) 1.019 16.980 ( -1.190 0.506 2.283) 2.624 17.009 ( 0.537 -2.822 -2.975) 4.136 17.174 ( 0.914 0.051 0.121) 0.923 17.199 ( -0.018 0.351 -0.267) 0.442 17.636 ( 3.632 -2.419 0.266) 4.372 17.699 ( 1.470 -3.541 0.817) 3.921 18.571 ( 0.392 1.800 0.077) 1.843 18.593 ( -0.010 1.191 0.019) 1.191 18.730 ( 1.181 1.265 -0.094) 1.733 18.765 ( 1.352 0.188 -0.052) 1.366 19.293 ( -0.560 0.109 -0.122) 0.584 19.311 ( -1.130 -0.374 0.221) 1.211 20.029 ( -0.087 -0.756 0.164) 0.778 20.076 ( -0.204 -2.540 -0.303) 2.566 20.367 ( -0.803 2.553 -0.068) 2.677 20.423 ( -0.847 0.842 0.179) 1.208 22.254 ( 3.795 0.751 -1.289) 4.077 22.618 ( 2.366 -11.941 1.232) 12.235 24.773 ( 1.674 0.257 1.357) 2.170 24.858 ( 0.835 -5.616 -2.315) 6.132 25.555 ( 0.507 0.251 0.467) 0.734 25.951 ( 2.391 -10.511 -0.184) 10.781 26.494 ( 7.427 11.609 -1.773) 13.895 26.673 ( -8.538 6.765 4.441) 11.764 26.753 ( 5.191 5.468 -0.982) 7.603 26.909 ( -9.068 4.254 -1.502) 10.128 31.750 ( -0.119 0.228 -1.231) 1.257 31.898 ( -0.865 -3.269 1.055) 3.543 32.104 ( 1.861 -2.919 0.520) 3.500 32.355 ( -0.013 -11.092 -0.355) 11.098 ======================= Grid point 28 (17/75) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.000 8.793 0.000) 8.793 1.779 ( 0.000 -15.656 0.000) 15.656 1.926 ( 0.000 14.129 0.000) 14.129 2.208 ( 0.000 -13.146 0.000) 13.146 2.624 ( 0.000 11.820 0.000) 11.820 2.809 ( 0.000 -5.808 0.000) 5.808 2.974 ( 0.000 4.390 0.000) 4.390 3.005 ( 0.000 6.851 0.000) 6.851 3.122 ( 0.000 0.384 0.000) 0.384 3.262 ( 0.000 -2.895 0.000) 2.895 3.550 ( 0.000 4.954 0.000) 4.954 3.728 ( 0.000 -8.996 0.000) 8.996 3.919 ( 0.000 7.829 0.000) 7.829 4.063 ( 0.000 -5.288 0.000) 5.288 4.113 ( 0.000 8.683 0.000) 8.683 4.139 ( 0.000 3.810 0.000) 3.810 4.275 ( 0.000 2.964 0.000) 2.964 4.382 ( 0.000 -3.359 0.000) 3.359 4.528 ( 0.000 6.364 0.000) 6.364 4.599 ( 0.000 -0.250 0.000) 0.250 4.678 ( 0.000 3.436 0.000) 3.436 4.760 ( 0.000 -3.342 0.000) 3.342 4.861 ( 0.000 -7.422 0.000) 7.422 4.932 ( 0.000 -10.393 0.000) 10.393 5.101 ( 0.000 2.020 0.000) 2.020 5.142 ( 0.000 -2.585 0.000) 2.585 5.254 ( 0.000 16.950 0.000) 16.950 5.414 ( 0.000 -0.816 0.000) 0.816 5.485 ( 0.000 -4.265 0.000) 4.265 5.504 ( 0.000 -4.324 0.000) 4.324 5.558 ( 0.000 14.194 0.000) 14.194 5.847 ( 0.000 -9.222 0.000) 9.222 5.903 ( 0.000 2.853 0.000) 2.853 5.906 ( 0.000 3.597 0.000) 3.597 5.969 ( 0.000 1.594 0.000) 1.594 6.027 ( 0.000 0.131 0.000) 0.131 6.119 ( 0.000 6.525 0.000) 6.525 6.263 ( 0.000 -8.366 0.000) 8.366 6.387 ( 0.000 -2.891 0.000) 2.891 6.434 ( 0.000 -7.681 0.000) 7.681 6.660 ( 0.000 5.846 0.000) 5.846 6.747 ( 0.000 2.170 0.000) 2.170 6.897 ( 0.000 4.112 0.000) 4.112 6.967 ( 0.000 -7.013 0.000) 7.013 7.069 ( 0.000 -1.007 0.000) 1.007 7.123 ( 0.000 -8.646 0.000) 8.646 7.271 ( 0.000 1.424 0.000) 1.424 7.315 ( 0.000 -0.774 0.000) 0.774 7.387 ( 0.000 5.986 0.000) 5.986 7.515 ( 0.000 -3.987 0.000) 3.987 7.611 ( 0.000 9.503 0.000) 9.503 7.612 ( 0.000 2.890 0.000) 2.890 7.701 ( 0.000 -2.324 0.000) 2.324 7.735 ( 0.000 2.663 0.000) 2.663 7.804 ( 0.000 -4.104 0.000) 4.104 7.847 ( 0.000 -7.574 0.000) 7.574 8.261 ( 0.000 4.219 0.000) 4.219 8.420 ( 0.000 -8.897 0.000) 8.897 8.485 ( 0.000 2.893 0.000) 2.893 8.499 ( 0.000 2.105 0.000) 2.105 8.685 ( 0.000 1.494 0.000) 1.494 8.805 ( 0.000 -7.877 0.000) 7.877 8.978 ( 0.000 0.839 0.000) 0.839 9.042 ( 0.000 -4.723 0.000) 4.723 9.163 ( 0.000 3.898 0.000) 3.898 9.200 ( 0.000 0.114 0.000) 0.114 9.697 ( 0.000 2.903 0.000) 2.903 9.697 ( 0.000 0.619 0.000) 0.619 9.920 ( 0.000 -8.144 0.000) 8.144 9.942 ( 0.000 -7.454 0.000) 7.454 10.411 ( 0.000 -0.449 0.000) 0.449 10.420 ( 0.000 -1.051 0.000) 1.051 10.619 ( 0.000 1.656 0.000) 1.656 10.643 ( 0.000 -0.342 0.000) 0.342 11.116 ( 0.000 5.263 0.000) 5.263 11.202 ( 0.000 -2.654 0.000) 2.654 11.327 ( 0.000 5.240 0.000) 5.240 11.423 ( 0.000 -3.591 0.000) 3.591 12.929 ( 0.000 1.275 0.000) 1.275 12.959 ( 0.000 -1.325 0.000) 1.325 13.198 ( 0.000 1.129 0.000) 1.129 13.229 ( 0.000 -1.841 0.000) 1.841 13.889 ( 0.000 2.230 0.000) 2.230 13.925 ( 0.000 -1.074 0.000) 1.074 14.212 ( 0.000 4.438 0.000) 4.438 14.288 ( 0.000 -2.530 0.000) 2.530 16.179 ( 0.000 -0.700 0.000) 0.700 16.179 ( 0.000 -0.682 0.000) 0.682 16.731 ( 0.000 0.788 0.000) 0.788 16.743 ( 0.000 -0.491 0.000) 0.491 17.040 ( 0.000 1.111 0.000) 1.111 17.050 ( 0.000 0.363 0.000) 0.363 17.222 ( 0.000 2.220 0.000) 2.220 17.273 ( 0.000 0.340 0.000) 0.340 17.289 ( 0.000 -1.060 0.000) 1.060 17.332 ( 0.000 -2.198 0.000) 2.198 18.561 ( 0.000 0.489 0.000) 0.489 18.567 ( 0.000 -0.137 0.000) 0.137 18.634 ( 0.000 0.920 0.000) 0.920 18.651 ( 0.000 -0.661 0.000) 0.661 19.372 ( 0.000 0.226 0.000) 0.226 19.377 ( 0.000 -0.285 0.000) 0.285 20.029 ( 0.000 -0.045 0.000) 0.045 20.041 ( 0.000 -1.097 0.000) 1.097 20.530 ( 0.000 1.324 0.000) 1.324 20.539 ( 0.000 0.389 0.000) 0.389 21.971 ( 0.000 4.973 0.000) 4.973 22.096 ( 0.000 -6.938 0.000) 6.938 24.680 ( 0.000 2.972 0.000) 2.972 24.770 ( 0.000 -5.548 0.000) 5.548 25.527 ( 0.000 2.401 0.000) 2.401 25.605 ( 0.000 -4.873 0.000) 4.873 26.517 ( 0.000 3.299 0.000) 3.299 26.535 ( 0.000 1.794 0.000) 1.794 27.159 ( 0.000 11.655 0.000) 11.655 27.369 ( 0.000 -8.582 0.000) 8.582 31.837 ( 0.000 1.933 0.000) 1.933 31.884 ( 0.000 -2.557 0.000) 2.557 32.006 ( 0.000 4.814 0.000) 4.814 32.144 ( 0.000 -8.267 0.000) 8.267 ======================= Grid point 29 (18/75) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 6.248 7.458 5.564) 11.208 1.833 ( 3.897 -13.422 1.870) 14.101 2.007 ( 10.609 12.419 -3.770) 16.763 2.231 ( 5.120 -8.033 -5.235) 10.869 2.555 ( -6.820 7.355 5.103) 11.254 2.731 ( -6.108 -7.201 1.114) 9.508 3.010 ( 0.983 3.080 3.193) 4.544 3.033 ( 1.334 5.397 3.256) 6.442 3.214 ( 6.682 3.441 -2.166) 7.822 3.323 ( 3.939 -0.801 -0.320) 4.032 3.638 ( 12.296 4.998 -5.198) 14.255 3.787 ( 10.187 -6.053 -3.631) 12.394 3.928 ( -0.534 3.078 2.358) 3.914 4.036 ( -1.489 -6.389 -1.729) 6.785 4.086 ( -2.610 11.301 3.335) 12.068 4.205 ( 1.315 3.801 5.628) 6.918 4.315 ( 4.676 5.908 1.909) 7.773 4.415 ( 2.658 -1.046 -0.890) 2.992 4.481 ( -5.034 0.784 -1.445) 5.296 4.549 ( -5.157 -4.375 5.307) 8.596 4.683 ( -6.406 2.396 -3.657) 7.755 4.725 ( -3.199 1.922 -1.473) 4.012 4.799 ( -1.384 -3.980 -3.642) 5.570 4.880 ( -4.741 -10.987 4.730) 12.867 5.006 ( -5.933 5.699 -3.192) 8.825 5.106 ( -1.762 -4.379 -5.033) 6.899 5.246 ( 3.217 6.229 2.144) 7.332 5.373 ( -4.356 -2.485 0.341) 5.026 5.422 ( -0.293 2.571 -2.154) 3.367 5.558 ( -1.394 -5.357 1.212) 5.666 5.611 ( 3.685 10.409 0.928) 11.081 5.744 ( -3.770 2.516 -6.045) 7.555 5.855 ( -3.299 -2.295 -2.236) 4.599 5.869 ( 1.489 -3.678 -3.373) 5.208 6.071 ( -0.276 5.941 1.205) 6.068 6.164 ( 7.630 5.983 5.378) 11.088 6.239 ( 3.576 -6.377 2.428) 7.704 6.274 ( 9.878 -4.599 3.839) 11.553 6.421 ( 3.302 0.742 0.372) 3.405 6.526 ( 5.349 -6.458 3.191) 8.972 6.651 ( -2.800 6.539 -0.640) 7.142 6.719 ( 2.481 8.375 -6.342) 10.794 6.857 ( -2.522 -5.600 0.743) 6.186 6.969 ( -0.793 2.364 -1.683) 3.008 7.003 ( -2.522 -7.495 -4.280) 8.991 7.113 ( 1.385 -2.294 0.026) 2.680 7.215 ( -4.900 -0.236 0.607) 4.943 7.294 ( -2.307 -5.468 2.693) 6.517 7.419 ( 0.870 6.567 -4.691) 8.117 7.483 ( -3.265 3.511 -2.772) 5.539 7.627 ( -1.150 -4.599 -0.321) 4.752 7.653 ( 0.927 -5.275 0.344) 5.366 7.705 ( 3.781 6.235 5.694) 9.252 7.768 ( -0.606 -1.785 -1.005) 2.136 7.804 ( 5.105 1.191 2.274) 5.714 7.919 ( 3.558 -5.183 4.503) 7.733 8.233 ( -2.009 4.641 -1.051) 5.165 8.362 ( -4.055 -5.065 0.514) 6.508 8.488 ( 0.471 1.380 -2.492) 2.888 8.502 ( 0.724 1.143 -0.917) 1.635 8.635 ( -2.674 2.161 -1.712) 3.840 8.782 ( -1.606 -8.894 -1.823) 9.220 8.982 ( -0.312 1.836 -0.946) 2.088 9.023 ( -4.023 -0.872 1.497) 4.380 9.127 ( -3.768 1.859 3.750) 5.632 9.195 ( -1.845 -3.119 1.189) 3.814 9.685 ( 2.083 2.172 -2.696) 4.041 9.737 ( 2.278 -0.985 0.333) 2.504 9.951 ( 2.039 -3.606 3.083) 5.164 10.009 ( 2.698 -7.770 5.302) 9.786 10.378 ( -1.298 1.046 -3.025) 3.454 10.417 ( -0.511 -2.609 -0.248) 2.670 10.602 ( -0.716 3.162 -1.327) 3.503 10.660 ( 1.563 -2.229 -0.392) 2.750 11.073 ( -4.609 4.400 1.360) 6.516 11.139 ( -5.868 -1.692 0.701) 6.147 11.332 ( 0.755 5.448 -1.684) 5.752 11.434 ( 0.724 -3.976 -1.245) 4.229 12.971 ( 1.426 1.636 1.039) 2.406 13.006 ( 1.926 -1.496 1.707) 2.977 13.114 ( -5.017 0.577 -1.669) 5.319 13.134 ( -5.848 -1.520 -1.437) 6.211 13.919 ( 1.813 1.568 0.715) 2.502 13.938 ( 0.277 -0.020 0.849) 0.893 14.234 ( 2.619 3.821 -0.563) 4.666 14.302 ( 1.809 -2.359 -0.686) 3.051 16.109 ( -6.047 0.843 0.060) 6.106 16.140 ( -4.857 -1.909 -0.193) 5.222 16.734 ( 0.115 0.920 0.453) 1.032 16.748 ( 0.296 -0.486 0.330) 0.657 17.013 ( -1.424 2.037 -0.652) 2.569 17.057 ( 0.105 -1.813 -1.607) 2.425 17.174 ( -1.360 2.590 -0.775) 3.027 17.221 ( -1.940 -1.806 -1.197) 2.908 17.382 ( 6.462 2.092 1.969) 7.072 17.437 ( 6.182 -3.029 1.992) 7.166 18.568 ( 0.630 0.739 0.202) 0.992 18.578 ( 0.860 -0.272 0.271) 0.942 18.658 ( 2.609 0.797 -0.229) 2.738 18.672 ( 2.403 -0.464 -0.345) 2.472 19.356 ( -1.548 0.324 -0.097) 1.584 19.364 ( -1.558 -0.392 0.240) 1.624 20.029 ( 0.036 0.134 -0.091) 0.166 20.044 ( 0.156 -1.236 0.063) 1.248 20.496 ( -3.046 1.584 0.031) 3.433 20.512 ( -2.759 0.034 0.153) 2.763 22.048 ( 7.792 4.615 -0.467) 9.068 22.172 ( 7.052 -7.171 0.655) 10.078 24.688 ( 0.975 2.391 -0.080) 2.584 24.765 ( 0.126 -4.913 -0.857) 4.989 25.544 ( 1.591 2.975 0.130) 3.376 25.637 ( 3.289 -5.741 -0.345) 6.626 26.533 ( 1.846 3.985 -0.037) 4.392 26.563 ( 3.425 1.238 -0.667) 3.702 27.121 ( -5.053 10.317 1.843) 11.635 27.299 ( -6.772 -6.786 -0.926) 9.631 31.820 ( -0.765 1.849 -1.411) 2.448 31.872 ( -1.989 -2.908 1.414) 3.797 32.021 ( 1.427 4.548 0.248) 4.773 32.154 ( 0.995 -8.005 -0.267) 8.072 ======================= Grid point 30 (19/75) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 5.269 4.036 5.483) 8.609 1.899 ( -0.199 -6.159 2.999) 6.853 2.207 ( 15.432 8.842 -6.094) 18.801 2.288 ( 7.522 1.927 -6.242) 9.963 2.521 ( -3.280 1.889 5.175) 6.411 2.681 ( 0.012 -9.411 0.997) 9.464 3.052 ( 0.961 5.663 2.515) 6.270 3.115 ( 4.015 0.034 2.902) 4.955 3.285 ( 3.953 1.803 -0.013) 4.345 3.370 ( 3.117 -2.083 -1.010) 3.883 3.857 ( 11.199 8.948 -3.948) 14.868 3.902 ( 8.375 2.320 -6.832) 11.054 3.992 ( -0.199 -2.550 -0.522) 2.610 4.018 ( 0.403 2.277 3.878) 4.515 4.100 ( 1.174 0.810 0.629) 1.559 4.220 ( -6.827 -2.634 5.588) 9.207 4.264 ( -9.068 5.797 1.751) 10.904 4.366 ( -5.328 -1.865 3.923) 6.875 4.485 ( -4.210 5.551 -0.246) 6.971 4.534 ( 5.551 6.097 3.967) 9.150 4.559 ( 1.912 -1.749 -0.909) 2.746 4.697 ( 3.207 -0.255 2.133) 3.861 4.781 ( 1.280 -2.271 -2.340) 3.503 4.827 ( -4.108 -0.481 -3.249) 5.259 4.956 ( 1.829 -7.406 0.309) 7.635 5.013 ( -2.677 -6.260 -5.985) 9.065 5.240 ( -8.002 6.083 -0.185) 10.053 5.333 ( -0.106 1.816 4.861) 5.191 5.443 ( -1.323 -4.241 2.943) 5.329 5.464 ( -5.237 -7.978 -0.808) 9.577 5.611 ( -1.551 5.539 -4.018) 7.017 5.664 ( 1.978 1.506 -6.864) 7.300 5.840 ( -0.426 5.164 -3.475) 6.239 5.906 ( 4.908 -0.571 5.230) 7.195 6.108 ( 3.267 -1.311 3.108) 4.695 6.189 ( -2.570 -8.403 0.077) 8.787 6.300 ( 0.928 6.140 2.153) 6.573 6.400 ( -2.740 -1.673 -0.263) 3.221 6.519 ( -0.715 2.048 -7.203) 7.523 6.562 ( 0.241 -1.404 -7.204) 7.343 6.663 ( 8.453 9.022 3.816) 12.938 6.747 ( 5.834 3.854 -2.256) 7.347 6.849 ( 4.351 -2.852 -3.107) 6.059 6.894 ( -2.983 -3.145 -2.886) 5.208 7.011 ( 3.179 2.443 2.558) 4.756 7.080 ( -7.667 3.013 -0.035) 8.237 7.220 ( 3.347 -2.094 4.000) 5.620 7.246 ( -7.052 -2.229 1.124) 7.480 7.361 ( -1.884 -2.227 1.054) 3.101 7.393 ( -1.279 -2.750 -0.640) 3.099 7.581 ( 1.467 0.895 -2.793) 3.279 7.688 ( 0.908 -5.388 -1.333) 5.624 7.765 ( 0.982 1.061 1.570) 2.134 7.840 ( 3.375 -5.757 3.806) 7.682 7.913 ( 2.816 3.386 0.761) 4.469 8.036 ( 2.681 -7.424 4.000) 8.849 8.208 ( 0.882 7.482 1.781) 7.742 8.321 ( -1.640 -1.906 0.337) 2.537 8.476 ( 1.584 3.744 -2.218) 4.631 8.509 ( 1.141 0.878 0.466) 1.513 8.596 ( 0.669 1.573 -1.708) 2.416 8.733 ( -1.380 -9.425 -0.853) 9.564 8.886 ( -6.873 3.333 -0.644) 7.665 8.949 ( -5.757 -1.534 -0.626) 5.991 9.108 ( -0.914 1.703 0.871) 2.120 9.174 ( -2.307 -4.248 1.129) 4.964 9.716 ( 2.515 0.827 -0.295) 2.664 9.776 ( 1.823 -3.751 -0.164) 4.174 10.031 ( 1.425 0.360 4.867) 5.084 10.091 ( 0.587 -4.520 3.518) 5.757 10.318 ( -1.309 2.463 -3.572) 4.531 10.400 ( -0.837 -5.375 -0.208) 5.444 10.577 ( -0.117 5.119 -1.538) 5.346 10.687 ( 2.021 -4.885 -0.688) 5.331 11.006 ( -3.368 2.950 0.750) 4.539 11.042 ( -4.639 -0.212 0.090) 4.645 11.308 ( -1.633 5.006 -1.359) 5.438 11.403 ( -2.845 -3.784 -0.907) 4.820 12.850 ( -11.331 1.021 1.827) 11.522 12.879 ( -11.591 -1.708 1.724) 11.842 13.174 ( 9.782 1.740 -2.622) 10.276 13.210 ( 9.885 -1.663 -1.595) 10.150 13.925 ( -2.121 2.023 1.542) 3.312 13.946 ( -0.749 -0.084 0.888) 1.164 14.285 ( 3.219 2.612 -0.639) 4.195 14.334 ( 2.273 -1.771 -0.884) 3.014 15.991 ( -6.081 1.368 -0.061) 6.233 16.027 ( -6.544 -1.858 -0.025) 6.803 16.744 ( 0.280 1.024 0.830) 1.348 16.758 ( 0.370 -0.202 0.286) 0.509 16.984 ( -0.973 1.366 -0.601) 1.781 17.023 ( -0.841 -1.796 -2.672) 3.328 17.170 ( 0.537 1.561 0.186) 1.661 17.197 ( -0.116 -0.910 -0.449) 1.021 17.518 ( 6.072 1.117 1.429) 6.337 17.561 ( 5.005 -2.825 1.566) 5.957 18.585 ( 0.918 0.923 0.150) 1.311 18.596 ( 0.756 -0.152 0.193) 0.795 18.712 ( 3.089 0.743 -0.245) 3.186 18.723 ( 3.093 -0.292 -0.305) 3.122 19.322 ( -1.855 0.375 -0.038) 1.892 19.331 ( -2.056 -0.471 0.242) 2.123 20.027 ( -0.334 0.235 0.028) 0.409 20.043 ( -0.310 -1.369 -0.067) 1.406 20.442 ( -2.527 1.595 -0.017) 2.988 20.461 ( -2.616 -0.189 0.175) 2.628 22.197 ( 8.013 4.034 -0.561) 8.989 22.318 ( 7.004 -7.492 0.858) 10.292 24.718 ( 2.227 1.077 0.193) 2.482 24.767 ( 1.335 -3.614 -1.282) 4.060 25.579 ( 1.830 3.976 0.185) 4.381 25.700 ( 3.604 -7.403 -0.486) 8.248 26.586 ( 4.478 5.486 -0.642) 7.111 26.642 ( 5.757 0.109 -0.625) 5.791 27.017 ( -8.681 7.473 2.756) 11.781 27.128 ( -10.078 -3.078 -1.151) 10.600 31.792 ( -0.808 1.858 -1.138) 2.324 31.847 ( -1.889 -3.175 1.030) 3.835 32.055 ( 1.757 3.167 0.458) 3.650 32.167 ( 0.601 -7.334 -0.318) 7.366 ======================= Grid point 31 (20/75) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -1.771 6.671 -0.054) 6.902 1.939 ( 0.977 -4.467 2.582) 5.251 2.350 ( 4.206 8.617 -3.058) 10.064 2.409 ( 10.226 5.131 -4.360) 12.243 2.502 ( -4.828 0.368 4.848) 6.852 2.722 ( 2.007 -12.018 0.701) 12.205 3.102 ( 3.516 7.601 -0.505) 8.390 3.226 ( 3.590 -5.543 0.856) 6.659 3.351 ( 3.069 0.601 0.484) 3.165 3.417 ( 0.140 -4.042 1.348) 4.263 3.802 ( -5.162 4.977 -3.135) 7.826 3.871 ( -6.563 2.696 -2.223) 7.435 3.996 ( 3.454 -0.191 -2.275) 4.141 4.036 ( 0.893 5.373 0.605) 5.480 4.123 ( 3.686 1.175 0.343) 3.884 4.235 ( -0.716 1.416 9.173) 9.309 4.315 ( 3.363 1.160 -3.366) 4.897 4.330 ( -2.736 3.685 3.941) 6.050 4.466 ( 3.223 8.935 1.468) 9.611 4.529 ( -0.149 0.176 -0.058) 0.238 4.623 ( -6.254 2.779 -0.510) 6.863 4.735 ( 1.256 5.357 -0.201) 5.506 4.799 ( 2.741 1.334 0.899) 3.179 4.828 ( 3.661 -6.931 -1.474) 7.976 4.912 ( -1.177 -5.048 -4.524) 6.880 4.980 ( -0.329 -13.481 0.692) 13.502 5.156 ( -0.884 2.828 3.284) 4.423 5.269 ( -6.754 -8.313 -3.206) 11.181 5.418 ( 2.017 4.043 4.015) 6.044 5.487 ( 0.219 -1.534 0.981) 1.834 5.555 ( -1.190 4.151 -1.336) 4.520 5.648 ( 1.368 -1.758 -2.904) 3.660 5.780 ( -2.607 6.500 -1.567) 7.177 6.005 ( 1.098 -11.921 -0.012) 11.972 6.164 ( 0.720 1.446 3.054) 3.455 6.234 ( 1.109 -4.081 3.895) 5.749 6.295 ( -1.656 2.242 3.339) 4.349 6.342 ( -2.109 0.495 2.792) 3.534 6.409 ( -1.472 -0.229 -12.420) 12.509 6.415 ( -0.336 -0.381 -8.964) 8.978 6.785 ( 2.321 8.788 3.305) 9.671 6.827 ( 1.324 7.142 -3.106) 7.900 6.878 ( 0.827 1.669 1.207) 2.220 6.898 ( 1.570 0.075 0.156) 1.579 6.963 ( -2.091 5.846 -0.340) 6.218 7.082 ( 1.184 0.199 0.801) 1.443 7.151 ( -3.127 -6.176 0.585) 6.948 7.193 ( -3.382 -5.967 -1.857) 7.106 7.432 ( 4.960 0.629 3.536) 6.124 7.470 ( 3.051 -4.020 3.441) 6.108 7.589 ( 1.100 1.829 -1.258) 2.478 7.660 ( -2.124 -4.439 -2.032) 5.324 7.799 ( 1.683 2.982 0.342) 3.441 7.898 ( -0.878 -1.443 2.784) 3.256 7.960 ( 4.156 -1.215 -1.249) 4.506 8.035 ( -4.715 -5.344 2.095) 7.428 8.254 ( 1.583 0.840 -1.030) 2.067 8.291 ( -1.684 -0.513 -0.203) 1.772 8.512 ( 2.231 4.384 1.785) 5.233 8.562 ( 2.345 -1.235 0.852) 2.785 8.653 ( 6.476 2.402 0.264) 6.912 8.714 ( -1.090 -1.136 -1.478) 2.160 8.793 ( -4.585 -1.895 1.122) 5.086 8.830 ( -2.145 -3.417 -3.207) 5.154 9.089 ( -0.836 0.777 -0.626) 1.302 9.122 ( -4.024 -2.855 1.387) 5.126 9.753 ( 1.157 -0.366 0.273) 1.243 9.799 ( 0.749 -4.324 0.016) 4.389 10.072 ( -0.229 1.046 1.780) 2.077 10.093 ( -1.541 -0.541 0.434) 1.690 10.280 ( -0.062 2.762 -1.215) 3.018 10.393 ( -0.131 -7.446 0.333) 7.455 10.571 ( 0.333 6.147 -0.556) 6.181 10.714 ( 1.124 -6.673 -0.220) 6.770 10.971 ( -0.971 1.989 0.079) 2.215 10.987 ( -1.206 0.625 -0.322) 1.396 11.266 ( -1.346 4.093 -0.429) 4.330 11.339 ( -2.464 -2.850 -0.211) 3.773 12.708 ( -4.673 0.591 0.658) 4.756 12.733 ( -4.725 -1.911 0.577) 5.129 13.314 ( 6.336 1.905 -1.365) 6.756 13.337 ( 3.718 -0.313 -0.379) 3.750 13.902 ( -1.078 1.622 0.794) 2.104 13.923 ( -1.937 -0.367 0.563) 2.050 14.324 ( 1.344 1.898 -0.266) 2.341 14.359 ( 0.979 -1.200 -0.388) 1.597 15.913 ( -2.095 0.820 -0.074) 2.251 15.932 ( -3.239 -0.965 0.050) 3.380 16.756 ( 0.134 0.841 0.689) 1.096 16.764 ( 0.171 0.371 -0.144) 0.433 16.969 ( -0.382 0.343 0.075) 0.519 16.991 ( -0.236 -0.975 -1.509) 1.812 17.181 ( 0.320 0.694 0.121) 0.774 17.196 ( 0.130 -0.555 -0.103) 0.579 17.611 ( 2.637 0.030 0.479) 2.680 17.636 ( 1.809 -2.266 0.641) 2.970 18.599 ( 0.453 0.887 0.045) 0.997 18.607 ( 0.270 0.153 0.046) 0.314 18.752 ( 1.306 0.810 -0.103) 1.540 18.764 ( 1.348 -0.293 -0.110) 1.384 19.297 ( -0.735 0.248 -0.016) 0.775 19.303 ( -0.974 -0.361 0.116) 1.045 20.020 ( -0.267 0.042 0.050) 0.275 20.035 ( -0.381 -1.336 -0.066) 1.391 20.411 ( -0.836 1.564 -0.032) 1.774 20.430 ( -0.862 -0.262 0.078) 0.905 22.298 ( 3.087 3.658 -0.254) 4.793 22.414 ( 2.560 -7.528 0.400) 7.961 24.761 ( 1.540 -0.429 0.744) 1.764 24.778 ( 0.795 -2.197 -1.203) 2.628 25.605 ( 0.760 4.572 0.097) 4.636 25.745 ( 1.465 -8.557 -0.237) 8.685 26.686 ( 7.383 6.172 -1.346) 9.717 26.746 ( 4.423 0.354 0.325) 4.449 26.877 ( -7.242 5.278 1.127) 9.032 26.945 ( -8.489 -0.910 0.068) 8.538 31.773 ( -0.295 1.984 -0.412) 2.047 31.829 ( -0.741 -3.147 0.360) 3.253 32.086 ( 0.921 1.422 0.248) 1.713 32.169 ( -0.011 -6.497 -0.165) 6.499 ======================= Grid point 63 (21/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -1.071 0.000 31.201) 31.219 0.752 ( -9.636 0.000 32.820) 34.205 1.281 ( -14.098 0.000 54.502) 56.295 1.934 ( -1.845 0.000 -13.672) 13.796 2.086 ( 19.442 0.000 -20.298) 28.107 2.635 ( -1.496 0.000 -7.176) 7.330 2.845 ( -36.907 0.000 0.925) 36.919 2.885 ( -10.690 0.000 9.920) 14.584 2.973 ( 4.520 0.000 3.339) 5.619 3.293 ( -6.700 0.000 -5.477) 8.654 3.310 ( -3.102 0.000 -2.529) 4.002 3.665 ( 6.967 0.000 -3.669) 7.874 3.682 ( 0.822 0.000 -0.354) 0.895 3.834 ( 6.448 0.000 -25.900) 26.691 3.962 ( 1.142 0.000 14.530) 14.575 4.212 ( 3.310 0.000 0.549) 3.356 4.218 ( 4.558 0.000 -4.082) 6.118 4.282 ( -0.124 0.000 -1.331) 1.337 4.458 ( -3.734 0.000 -8.637) 9.410 4.551 ( -6.279 0.000 3.051) 6.981 4.677 ( -9.504 0.000 3.283) 10.055 4.728 ( 1.946 0.000 5.490) 5.825 4.812 ( 8.217 0.000 3.349) 8.874 4.994 ( -11.362 0.000 4.962) 12.398 5.169 ( 6.346 0.000 0.435) 6.361 5.189 ( 5.980 0.000 3.262) 6.812 5.283 ( 10.068 0.000 -5.670) 11.555 5.433 ( -1.498 0.000 -0.050) 1.499 5.443 ( 3.822 0.000 -0.925) 3.932 5.494 ( -12.668 0.000 -6.891) 14.421 5.598 ( -3.599 0.000 3.602) 5.092 5.674 ( 4.702 0.000 -1.583) 4.962 5.868 ( 8.904 0.000 -6.742) 11.168 5.884 ( 0.028 0.000 3.589) 3.589 6.037 ( 3.189 0.000 -7.637) 8.276 6.048 ( -0.640 0.000 -2.673) 2.749 6.075 ( 6.377 0.000 2.655) 6.908 6.300 ( -8.985 0.000 -3.591) 9.676 6.488 ( -4.734 0.000 6.279) 7.863 6.570 ( -1.234 0.000 -2.722) 2.989 6.672 ( -3.289 0.000 -1.800) 3.749 6.701 ( 0.369 0.000 -1.210) 1.265 6.867 ( -1.644 0.000 4.135) 4.450 6.974 ( 9.740 0.000 -3.656) 10.404 7.011 ( -1.465 0.000 4.094) 4.348 7.040 ( -6.612 0.000 -3.681) 7.567 7.187 ( 3.116 0.000 3.263) 4.512 7.254 ( 5.537 0.000 -2.082) 5.915 7.480 ( -0.521 0.000 -2.000) 2.067 7.528 ( -0.240 0.000 -1.234) 1.257 7.639 ( 5.092 0.000 3.289) 6.062 7.749 ( -21.313 0.000 21.576) 30.328 7.816 ( -2.183 0.000 -3.434) 4.069 7.990 ( 0.975 0.000 5.014) 5.108 8.099 ( -0.208 0.000 1.429) 1.444 8.187 ( 12.015 0.000 5.993) 13.426 8.381 ( -2.993 0.000 -1.875) 3.532 8.483 ( 3.007 0.000 -5.251) 6.051 8.573 ( 0.593 0.000 -0.841) 1.029 8.588 ( 6.581 0.000 -3.629) 7.516 8.769 ( -14.092 0.000 2.811) 14.369 8.831 ( 1.042 0.000 5.464) 5.563 8.961 ( 4.051 0.000 -4.303) 5.910 9.137 ( -0.237 0.000 -2.038) 2.052 9.379 ( -2.280 0.000 1.835) 2.927 9.652 ( -3.115 0.000 -13.421) 13.778 10.010 ( -2.327 0.000 1.139) 2.591 10.144 ( -0.355 0.000 -2.296) 2.324 10.187 ( 8.704 0.000 0.296) 8.709 10.260 ( 2.026 0.000 -4.661) 5.083 10.303 ( -4.458 0.000 5.519) 7.095 10.444 ( 3.171 0.000 -3.383) 4.637 10.693 ( -3.448 0.000 1.406) 3.723 10.742 ( -3.824 0.000 2.768) 4.721 10.982 ( -6.812 0.000 0.875) 6.868 11.093 ( 45.944 0.000 -1.448) 45.967 11.172 ( -5.296 0.000 7.421) 9.116 11.467 ( 17.248 0.000 -4.081) 17.724 12.921 ( -4.089 0.000 3.285) 5.245 13.126 ( 4.930 0.000 -4.360) 6.581 13.174 ( -0.836 0.000 2.818) 2.940 13.345 ( 1.733 0.000 -3.016) 3.479 13.632 ( -4.182 0.000 1.989) 4.630 13.744 ( 4.930 0.000 -2.326) 5.452 14.057 ( -1.314 0.000 3.225) 3.482 14.187 ( 1.055 0.000 -1.641) 1.951 16.259 ( -2.602 0.000 0.827) 2.730 16.309 ( 2.800 0.000 -0.953) 2.958 16.658 ( -0.514 0.000 0.917) 1.052 16.731 ( 0.965 0.000 -2.012) 2.231 17.073 ( -3.059 0.000 2.046) 3.680 17.111 ( 15.729 0.000 0.126) 15.730 17.116 ( 2.921 0.000 2.141) 3.622 17.262 ( -9.871 0.000 -3.483) 10.467 17.372 ( 4.681 0.000 0.818) 4.752 17.377 ( -5.133 0.000 -0.029) 5.133 18.501 ( -0.326 0.000 0.001) 0.326 18.506 ( 0.940 0.000 -0.204) 0.962 18.597 ( -0.153 0.000 0.027) 0.155 18.598 ( 0.180 0.000 -0.007) 0.180 19.373 ( -0.243 0.000 0.312) 0.396 19.393 ( 0.187 0.000 -0.437) 0.476 20.043 ( 0.403 0.000 2.123) 2.161 20.184 ( -8.222 0.000 -3.470) 8.924 20.350 ( -3.299 0.000 2.193) 3.962 20.418 ( 0.699 0.000 -0.760) 1.033 22.521 ( 13.634 0.000 0.926) 13.665 22.575 ( -99.300 0.000 -1.007) 99.305 24.556 ( -1.832 0.000 4.007) 4.406 24.827 ( 14.544 0.000 -6.227) 15.821 25.620 ( -5.062 0.000 5.702) 7.625 25.764 ( 2.264 0.000 -0.513) 2.321 26.060 ( 0.831 0.000 2.215) 2.366 26.280 ( 1.197 0.000 -5.136) 5.273 26.864 ( -3.502 0.000 0.971) 3.634 26.916 ( 18.296 0.000 -0.895) 18.318 31.907 ( 5.825 0.000 0.360) 5.836 31.975 ( -16.699 0.000 -3.077) 16.980 32.298 ( -29.646 0.000 7.556) 30.594 32.624 ( 3.624 0.000 -5.047) 6.213 ======================= Grid point 64 (22/75) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 5.352 0.000 22.401) 23.031 1.191 ( 18.122 0.000 26.068) 31.748 1.719 ( 14.874 0.000 -3.535) 15.289 1.871 ( -16.704 0.000 -28.261) 32.828 2.030 ( 11.614 0.000 26.351) 28.797 2.543 ( -4.014 0.000 8.330) 9.246 2.618 ( 0.939 0.000 6.952) 7.015 2.867 ( 2.530 0.000 4.597) 5.247 3.110 ( 2.355 0.000 8.940) 9.245 3.234 ( -0.202 0.000 -4.792) 4.796 3.238 ( -4.525 0.000 2.194) 5.029 3.685 ( 9.519 0.000 -23.347) 25.213 3.715 ( 1.763 0.000 0.138) 1.768 3.796 ( 10.832 0.000 -7.591) 13.227 4.107 ( 1.232 0.000 4.681) 4.840 4.156 ( -15.250 0.000 -6.584) 16.610 4.260 ( -5.266 0.000 -1.484) 5.472 4.289 ( 1.147 0.000 4.010) 4.171 4.333 ( 2.866 0.000 0.517) 2.912 4.395 ( 0.968 0.000 -3.344) 3.481 4.565 ( -6.142 0.000 5.991) 8.581 4.688 ( -9.956 0.000 0.134) 9.957 4.895 ( -8.923 0.000 13.881) 16.502 4.968 ( 5.237 0.000 -0.445) 5.256 5.055 ( -10.255 0.000 -0.124) 10.256 5.311 ( 4.390 0.000 -2.991) 5.313 5.410 ( 5.353 0.000 2.221) 5.796 5.471 ( 9.142 0.000 -8.815) 12.699 5.491 ( 8.216 0.000 -0.624) 8.240 5.507 ( 0.707 0.000 6.106) 6.147 5.633 ( 7.363 0.000 -11.790) 13.901 5.793 ( 4.587 0.000 4.849) 6.675 5.804 ( -2.098 0.000 -9.616) 9.842 5.991 ( 12.598 0.000 -10.458) 16.373 6.032 ( 7.553 0.000 -2.056) 7.828 6.072 ( -4.404 0.000 -5.379) 6.952 6.212 ( 8.391 0.000 1.985) 8.623 6.311 ( 7.532 0.000 4.946) 9.011 6.518 ( 4.348 0.000 5.025) 6.645 6.566 ( -0.709 0.000 3.557) 3.627 6.624 ( -0.400 0.000 -1.158) 1.225 6.659 ( -5.063 0.000 -1.282) 5.223 6.795 ( -7.848 0.000 -4.551) 9.073 6.797 ( -3.374 0.000 2.169) 4.010 7.020 ( 0.334 0.000 -1.032) 1.085 7.091 ( -0.930 0.000 0.605) 1.110 7.255 ( -0.977 0.000 -0.402) 1.056 7.381 ( 5.917 0.000 -4.625) 7.510 7.472 ( 2.600 0.000 3.294) 4.196 7.482 ( -2.698 0.000 5.508) 6.133 7.645 ( -9.334 0.000 10.822) 14.291 7.734 ( 2.134 0.000 1.870) 2.838 7.762 ( 0.725 0.000 -0.132) 0.737 8.051 ( -2.207 0.000 8.439) 8.723 8.088 ( -0.275 0.000 -0.030) 0.277 8.289 ( -4.716 0.000 -5.028) 6.894 8.313 ( -4.917 0.000 -2.205) 5.389 8.488 ( 2.958 0.000 -0.064) 2.959 8.526 ( -3.322 0.000 -1.522) 3.654 8.526 ( -10.050 0.000 1.803) 10.210 8.693 ( 5.269 0.000 -2.401) 5.791 8.835 ( -5.100 0.000 5.361) 7.399 8.947 ( -3.995 0.000 -5.364) 6.688 9.048 ( -6.890 0.000 0.714) 6.926 9.353 ( -2.496 0.000 8.231) 8.601 9.570 ( 4.089 0.000 -8.515) 9.446 9.994 ( 0.021 0.000 0.943) 0.944 10.109 ( -1.473 0.000 -1.680) 2.234 10.239 ( -1.091 0.000 -6.396) 6.488 10.304 ( 3.442 0.000 0.989) 3.581 10.323 ( 4.758 0.000 2.620) 5.431 10.479 ( 3.219 0.000 -3.187) 4.529 10.599 ( -9.465 0.000 2.234) 9.725 10.627 ( -4.463 0.000 1.013) 4.576 10.946 ( 4.457 0.000 -5.982) 7.460 11.128 ( -6.739 0.000 6.011) 9.030 11.339 ( 0.854 0.000 0.785) 1.160 11.597 ( -2.592 0.000 -7.580) 8.010 12.881 ( -1.357 0.000 0.513) 1.451 13.069 ( -5.282 0.000 -2.766) 5.962 13.116 ( -7.231 0.000 2.571) 7.674 13.290 ( -4.519 0.000 -2.971) 5.408 13.680 ( 7.660 0.000 -0.560) 7.680 13.776 ( 1.424 0.000 0.208) 1.439 14.107 ( 3.127 0.000 2.371) 3.924 14.201 ( 1.848 0.000 -1.542) 2.407 16.149 ( -8.703 0.000 -0.289) 8.708 16.268 ( -6.208 0.000 0.116) 6.210 16.659 ( -0.397 0.000 0.989) 1.066 16.723 ( 0.422 0.000 -1.815) 1.863 17.020 ( -3.948 0.000 -0.702) 4.010 17.142 ( -1.467 0.000 -2.259) 2.693 17.149 ( -1.959 0.000 5.039) 5.406 17.296 ( 6.271 0.000 -4.524) 7.733 17.434 ( 10.970 0.000 -1.710) 11.102 17.547 ( 11.611 0.000 0.210) 11.613 18.490 ( -0.550 0.000 -0.222) 0.593 18.496 ( -1.483 0.000 0.666) 1.626 18.612 ( 1.558 0.000 0.019) 1.558 18.632 ( 3.262 0.000 -0.058) 3.262 19.353 ( -1.478 0.000 -0.092) 1.480 19.369 ( -2.134 0.000 -0.412) 2.174 20.077 ( 0.175 0.000 3.271) 3.275 20.090 ( 1.155 0.000 -1.048) 1.560 20.325 ( -1.866 0.000 1.733) 2.547 20.401 ( -1.714 0.000 -0.432) 1.768 21.965 ( -3.086 0.000 11.565) 11.970 22.970 ( 22.641 0.000 16.039) 27.747 24.541 ( -3.541 0.000 2.909) 4.582 24.931 ( 9.983 0.000 -13.401) 16.711 25.633 ( 0.036 0.000 4.441) 4.441 25.835 ( 3.883 0.000 1.517) 4.169 26.101 ( 0.764 0.000 3.265) 3.353 26.255 ( 2.596 0.000 -6.291) 6.806 26.770 ( -4.821 0.000 -2.838) 5.594 26.946 ( -7.183 0.000 0.756) 7.223 31.737 ( -3.165 0.000 -1.237) 3.398 32.023 ( 3.440 0.000 3.269) 4.745 32.262 ( -0.771 0.000 10.091) 10.120 32.723 ( 10.396 0.000 -0.645) 10.416 ======================= Grid point 65 (23/75) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -17.118 0.000 -25.844) 30.999 1.292 ( 17.927 0.000 9.754) 20.408 1.808 ( 21.692 0.000 22.709) 31.405 1.929 ( 23.226 0.000 -19.006) 30.011 2.421 ( 3.272 0.000 9.601) 10.143 2.674 ( -1.728 0.000 7.255) 7.458 2.688 ( 2.330 0.000 15.806) 15.976 2.853 ( -10.584 0.000 -4.969) 11.693 3.140 ( -4.813 0.000 -0.616) 4.853 3.156 ( -1.801 0.000 2.637) 3.193 3.280 ( -0.421 0.000 14.498) 14.504 3.700 ( 6.345 0.000 -19.780) 20.773 3.750 ( 0.522 0.000 5.665) 5.689 3.802 ( -2.154 0.000 -5.568) 5.970 3.956 ( 6.877 0.000 -1.307) 7.000 3.981 ( -11.392 0.000 -5.432) 12.621 4.170 ( -1.348 0.000 1.145) 1.768 4.320 ( -2.346 0.000 8.716) 9.026 4.436 ( -2.920 0.000 -1.427) 3.250 4.468 ( 8.083 0.000 -6.407) 10.315 4.554 ( 2.420 0.000 -0.253) 2.434 4.595 ( 4.507 0.000 4.665) 6.486 4.716 ( -12.751 0.000 7.483) 14.784 5.033 ( 4.888 0.000 -3.409) 5.959 5.139 ( 4.543 0.000 10.294) 11.252 5.270 ( -2.371 0.000 -3.953) 4.610 5.295 ( -5.691 0.000 -9.271) 10.878 5.504 ( -5.319 0.000 0.333) 5.330 5.603 ( 2.995 0.000 -13.509) 13.837 5.643 ( 6.089 0.000 2.503) 6.584 5.690 ( 11.246 0.000 1.750) 11.381 5.758 ( 2.325 0.000 1.582) 2.812 5.947 ( 1.169 0.000 3.044) 3.261 5.954 ( -4.885 0.000 -4.914) 6.929 6.011 ( 7.895 0.000 -9.455) 12.318 6.266 ( -1.390 0.000 -2.841) 3.163 6.294 ( 11.728 0.000 4.947) 12.729 6.425 ( 5.856 0.000 3.347) 6.745 6.472 ( -3.424 0.000 -3.198) 4.685 6.620 ( -0.606 0.000 0.915) 1.097 6.679 ( 4.380 0.000 4.946) 6.606 6.707 ( 11.693 0.000 -3.042) 12.083 6.757 ( 1.507 0.000 0.719) 1.670 6.843 ( 1.336 0.000 4.062) 4.276 6.979 ( -5.157 0.000 -0.421) 5.174 7.027 ( 0.757 0.000 -0.017) 0.757 7.164 ( -5.909 0.000 -0.757) 5.958 7.364 ( 0.127 0.000 -3.417) 3.419 7.557 ( -2.960 0.000 -2.923) 4.160 7.576 ( -0.768 0.000 9.948) 9.977 7.631 ( 8.239 0.000 -0.009) 8.239 7.726 ( -8.108 0.000 5.020) 9.536 7.821 ( 2.060 0.000 3.829) 4.348 7.962 ( -13.311 0.000 5.427) 14.374 8.070 ( -4.607 0.000 -8.295) 9.489 8.178 ( 4.614 0.000 0.444) 4.636 8.190 ( -0.008 0.000 -6.598) 6.598 8.377 ( -6.191 0.000 0.656) 6.226 8.477 ( -2.293 0.000 1.937) 3.002 8.573 ( 2.624 0.000 0.294) 2.640 8.624 ( -15.652 0.000 -1.235) 15.700 8.682 ( -4.880 0.000 1.483) 5.100 8.906 ( 0.775 0.000 1.065) 1.317 9.009 ( 4.065 0.000 -2.422) 4.731 9.388 ( -8.172 0.000 11.531) 14.133 9.566 ( 4.319 0.000 -9.740) 10.655 10.021 ( 0.911 0.000 1.594) 1.836 10.052 ( -4.394 0.000 -2.658) 5.136 10.082 ( -3.611 0.000 -3.690) 5.163 10.364 ( 1.642 0.000 3.433) 3.805 10.459 ( 1.307 0.000 -3.172) 3.431 10.464 ( 7.346 0.000 -3.026) 7.945 10.585 ( 0.438 0.000 1.613) 1.672 10.615 ( 4.180 0.000 1.726) 4.522 10.959 ( 2.966 0.000 -6.719) 7.345 11.068 ( -4.606 0.000 4.530) 6.461 11.285 ( -9.985 0.000 3.846) 10.700 11.416 ( -6.067 0.000 -5.453) 8.157 12.851 ( -4.060 0.000 1.773) 4.430 12.954 ( -4.166 0.000 -1.405) 4.397 13.012 ( -5.051 0.000 1.151) 5.180 13.169 ( -3.533 0.000 -4.534) 5.748 13.823 ( 7.920 0.000 -1.592) 8.078 13.825 ( 3.151 0.000 0.579) 3.203 14.184 ( 2.680 0.000 1.353) 3.003 14.217 ( 1.366 0.000 -1.130) 1.773 15.985 ( -7.818 0.000 -0.371) 7.827 16.125 ( -8.337 0.000 -0.066) 8.338 16.662 ( -0.377 0.000 1.050) 1.116 16.717 ( 0.505 0.000 -1.161) 1.266 16.944 ( -2.874 0.000 -0.903) 3.012 17.117 ( 1.381 0.000 -4.102) 4.329 17.171 ( -0.886 0.000 4.329) 4.419 17.334 ( 2.252 0.000 -2.126) 3.097 17.643 ( 11.369 0.000 -0.346) 11.374 17.731 ( 7.886 0.000 0.634) 7.911 18.479 ( -0.294 0.000 -0.385) 0.484 18.480 ( -0.907 0.000 0.477) 1.025 18.646 ( 1.713 0.000 0.356) 1.749 18.696 ( 3.431 0.000 -0.226) 3.439 19.322 ( -2.331 0.000 -0.301) 2.350 19.325 ( -1.045 0.000 -0.764) 1.295 20.102 ( -1.118 0.000 3.271) 3.457 20.126 ( 4.029 0.000 -3.035) 5.044 20.311 ( -1.476 0.000 1.523) 2.121 20.360 ( -2.107 0.000 -0.133) 2.112 22.155 ( 9.058 0.000 8.786) 12.619 23.456 ( 6.737 0.000 19.120) 20.272 24.499 ( -2.334 0.000 0.974) 2.529 24.967 ( 9.741 0.000 -15.033) 17.913 25.694 ( 1.651 0.000 4.440) 4.737 25.873 ( -2.005 0.000 1.425) 2.460 26.147 ( 0.499 0.000 3.371) 3.407 26.274 ( 5.317 0.000 -4.547) 6.996 26.687 ( 1.146 0.000 -5.167) 5.293 26.792 ( -10.908 0.000 3.648) 11.502 31.722 ( 2.183 0.000 -2.160) 3.071 32.066 ( -0.288 0.000 0.090) 0.302 32.356 ( 0.033 0.000 9.760) 9.761 32.927 ( 7.257 0.000 4.401) 8.488 ======================= Grid point 66 (24/75) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 8.863 0.000 -3.301) 9.458 1.669 ( 11.776 0.000 9.568) 15.173 2.153 ( 16.518 0.000 -11.266) 19.994 2.253 ( -14.069 0.000 -18.324) 23.102 2.325 ( 5.819 0.000 5.917) 8.299 2.462 ( -16.241 0.000 -4.583) 16.875 2.707 ( 1.362 0.000 5.566) 5.730 2.829 ( 1.438 0.000 6.619) 6.773 3.087 ( 1.279 0.000 0.652) 1.436 3.192 ( 0.019 0.000 5.158) 5.158 3.440 ( -2.654 0.000 16.652) 16.863 3.545 ( -3.614 0.000 -0.649) 3.672 3.760 ( -2.395 0.000 -4.127) 4.772 3.769 ( -7.676 0.000 5.691) 9.555 3.791 ( 0.864 0.000 -11.883) 11.914 4.071 ( 4.951 0.000 2.715) 5.647 4.179 ( -1.301 0.000 5.292) 5.450 4.387 ( -1.531 0.000 4.321) 4.584 4.418 ( 0.499 0.000 5.858) 5.879 4.495 ( 3.936 0.000 -7.812) 8.747 4.506 ( -6.286 0.000 -3.965) 7.432 4.670 ( 9.924 0.000 -2.532) 10.242 4.871 ( 3.352 0.000 15.364) 15.725 5.117 ( 11.167 0.000 -5.384) 12.397 5.148 ( 0.115 0.000 -2.491) 2.494 5.191 ( -2.147 0.000 -3.923) 4.472 5.259 ( -3.758 0.000 -0.336) 3.773 5.384 ( -4.530 0.000 -2.945) 5.403 5.514 ( 2.449 0.000 -9.061) 9.386 5.686 ( -2.309 0.000 -3.533) 4.221 5.705 ( -3.110 0.000 -0.486) 3.147 5.884 ( -1.528 0.000 0.663) 1.666 5.899 ( 7.884 0.000 2.231) 8.193 5.960 ( 4.145 0.000 11.562) 12.283 6.155 ( 4.501 0.000 2.732) 5.265 6.295 ( 5.194 0.000 -1.207) 5.333 6.397 ( -3.136 0.000 -0.515) 3.178 6.439 ( 4.465 0.000 -4.212) 6.138 6.516 ( -0.328 0.000 -4.108) 4.121 6.626 ( 4.603 0.000 -0.913) 4.693 6.714 ( -4.022 0.000 1.665) 4.353 6.776 ( -2.599 0.000 -4.362) 5.078 6.866 ( 7.791 0.000 1.208) 7.884 6.913 ( -0.330 0.000 9.908) 9.913 6.990 ( -0.923 0.000 6.158) 6.227 7.016 ( -5.246 0.000 2.699) 5.899 7.117 ( 8.098 0.000 -12.944) 15.269 7.323 ( -6.577 0.000 2.486) 7.031 7.419 ( -2.445 0.000 -6.972) 7.389 7.468 ( -10.238 0.000 -0.102) 10.239 7.584 ( -2.520 0.000 1.145) 2.768 7.816 ( 7.185 0.000 -2.633) 7.652 7.887 ( 2.846 0.000 -3.511) 4.519 7.891 ( 0.047 0.000 0.711) 0.712 8.039 ( -8.175 0.000 -4.606) 9.383 8.051 ( 4.211 0.000 7.251) 8.385 8.235 ( -1.059 0.000 0.643) 1.239 8.350 ( -1.425 0.000 4.961) 5.161 8.366 ( -7.756 0.000 4.355) 8.895 8.544 ( 5.097 0.000 -0.481) 5.120 8.558 ( -4.517 0.000 1.419) 4.735 8.648 ( 1.391 0.000 -1.916) 2.368 8.937 ( 0.835 0.000 1.525) 1.738 9.084 ( 5.521 0.000 -2.828) 6.203 9.229 ( -15.653 0.000 4.975) 16.425 9.523 ( 2.647 0.000 -12.169) 12.454 10.020 ( 0.829 0.000 3.723) 3.814 10.039 ( -0.271 0.000 0.714) 0.763 10.058 ( 0.084 0.000 3.029) 3.030 10.421 ( 0.470 0.000 3.313) 3.347 10.480 ( 3.172 0.000 -1.699) 3.599 10.499 ( 0.179 0.000 1.579) 1.589 10.680 ( 8.076 0.000 -4.975) 9.485 10.687 ( 0.772 0.000 2.743) 2.849 10.922 ( 0.506 0.000 -6.390) 6.410 11.077 ( -11.219 0.000 -1.294) 11.294 11.077 ( 0.589 0.000 3.817) 3.862 11.313 ( -1.550 0.000 -3.415) 3.750 12.778 ( -6.639 0.000 5.492) 8.617 12.894 ( -1.837 0.000 -0.261) 1.855 12.962 ( -0.858 0.000 -1.606) 1.821 13.103 ( 2.111 0.000 -5.596) 5.981 13.879 ( 1.785 0.000 0.115) 1.789 13.914 ( 3.691 0.000 -1.781) 4.099 14.221 ( 0.325 0.000 0.478) 0.578 14.228 ( 0.606 0.000 -0.407) 0.730 15.890 ( -2.160 0.000 0.445) 2.205 15.999 ( -4.251 0.000 -1.171) 4.409 16.665 ( -0.457 0.000 1.124) 1.213 16.719 ( 0.632 0.000 -0.571) 0.851 16.906 ( -0.695 0.000 -0.098) 0.702 17.097 ( 1.540 0.000 -5.848) 6.048 17.193 ( -1.411 0.000 3.998) 4.240 17.345 ( 0.899 0.000 -1.248) 1.538 17.800 ( 5.074 0.000 0.622) 5.112 17.836 ( 2.571 0.000 0.957) 2.743 18.470 ( -0.526 0.000 0.079) 0.532 18.474 ( 0.169 0.000 -0.430) 0.462 18.674 ( 0.537 0.000 0.989) 1.125 18.736 ( 1.256 0.000 -0.688) 1.432 19.289 ( -0.834 0.000 -0.187) 0.855 19.304 ( -0.136 0.000 -1.013) 1.022 20.099 ( -2.225 0.000 2.307) 3.206 20.169 ( 3.851 0.000 -2.754) 4.734 20.304 ( -0.936 0.000 1.763) 1.996 20.332 ( -0.870 0.000 0.135) 0.880 22.427 ( 7.394 0.000 16.477) 18.061 23.508 ( -11.025 0.000 2.096) 11.222 24.497 ( -0.483 0.000 2.906) 2.946 24.998 ( 10.080 0.000 -15.370) 18.380 25.768 ( 1.171 0.000 4.767) 4.909 25.839 ( -1.580 0.000 1.029) 1.885 26.173 ( -1.282 0.000 2.646) 2.940 26.319 ( 3.010 0.000 -2.916) 4.191 26.646 ( -8.984 0.000 4.051) 9.855 26.709 ( 4.532 0.000 -3.032) 5.453 31.764 ( 3.467 0.000 0.153) 3.470 32.030 ( -1.410 0.000 -3.748) 4.004 32.451 ( -1.124 0.000 12.045) 12.097 33.007 ( -1.152 0.000 0.250) 1.178 ======================= Grid point 67 (25/75) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 22.557 0.000 13.687) 26.385 1.586 ( -25.545 0.000 -18.342) 31.447 1.885 ( -25.962 0.000 -3.244) 26.164 1.961 ( 1.262 0.000 5.248) 5.398 2.300 ( -6.965 0.000 -13.213) 14.937 2.357 ( 12.622 0.000 -1.546) 12.716 2.878 ( -1.272 0.000 3.087) 3.339 2.980 ( 7.209 0.000 10.454) 12.699 3.093 ( -18.711 0.000 7.385) 20.116 3.243 ( 12.218 0.000 7.128) 14.146 3.337 ( -10.032 0.000 -3.960) 10.786 3.576 ( 4.028 0.000 3.081) 5.071 3.640 ( 0.909 0.000 -14.884) 14.912 3.721 ( -0.206 0.000 4.946) 4.951 3.940 ( 9.201 0.000 8.705) 12.666 4.144 ( -3.304 0.000 1.688) 3.710 4.239 ( 3.219 0.000 2.658) 4.174 4.307 ( -5.161 0.000 0.272) 5.168 4.334 ( -0.664 0.000 0.709) 0.971 4.484 ( 1.494 0.000 -6.530) 6.698 4.530 ( -0.624 0.000 4.602) 4.644 4.745 ( -0.371 0.000 -1.255) 1.309 4.932 ( -4.731 0.000 7.152) 8.575 4.964 ( -13.686 0.000 -6.244) 15.043 5.112 ( -2.241 0.000 -3.947) 4.539 5.328 ( 0.443 0.000 2.543) 2.581 5.343 ( 10.886 0.000 6.376) 12.616 5.360 ( 16.668 0.000 -6.166) 17.772 5.523 ( 3.227 0.000 -5.887) 6.713 5.569 ( -1.984 0.000 -8.833) 9.053 5.805 ( 2.423 0.000 6.833) 7.250 5.833 ( -6.586 0.000 -1.075) 6.673 6.044 ( 6.852 0.000 9.572) 11.772 6.184 ( 4.259 0.000 11.155) 11.940 6.201 ( -2.494 0.000 3.447) 4.255 6.219 ( -6.704 0.000 -4.872) 8.287 6.387 ( 7.923 0.000 -0.344) 7.930 6.466 ( -5.274 0.000 -11.009) 12.207 6.544 ( 5.558 0.000 -1.061) 5.659 6.577 ( -6.692 0.000 -10.530) 12.476 6.630 ( -2.014 0.000 -3.295) 3.862 6.639 ( 0.595 0.000 -3.380) 3.432 6.850 ( -13.926 0.000 7.624) 15.876 6.891 ( -4.886 0.000 -5.208) 7.141 6.975 ( 0.253 0.000 0.238) 0.347 7.029 ( 2.366 0.000 7.377) 7.747 7.129 ( -0.154 0.000 4.587) 4.590 7.261 ( 3.838 0.000 -2.110) 4.380 7.408 ( 2.153 0.000 -4.085) 4.618 7.452 ( -5.556 0.000 7.940) 9.691 7.620 ( 8.164 0.000 1.251) 8.259 7.775 ( -7.665 0.000 -5.131) 9.224 7.832 ( 0.411 0.000 -2.531) 2.564 7.899 ( 2.645 0.000 -2.065) 3.356 8.082 ( 10.783 0.000 -0.882) 10.819 8.083 ( 5.399 0.000 -3.042) 6.197 8.298 ( -7.028 0.000 5.818) 9.124 8.368 ( -1.786 0.000 4.298) 4.655 8.418 ( 9.662 0.000 6.188) 11.473 8.478 ( -3.429 0.000 -3.530) 4.921 8.601 ( -0.198 0.000 -0.379) 0.427 8.648 ( -0.276 0.000 -0.655) 0.711 8.926 ( -4.014 0.000 2.327) 4.640 9.080 ( -2.481 0.000 3.879) 4.605 9.130 ( 1.646 0.000 -1.030) 1.942 9.421 ( 0.012 0.000 -13.771) 13.771 10.035 ( -0.322 0.000 0.225) 0.393 10.071 ( 3.167 0.000 0.163) 3.171 10.152 ( 1.360 0.000 9.292) 9.391 10.423 ( -3.129 0.000 1.884) 3.653 10.517 ( 1.380 0.000 -1.093) 1.760 10.549 ( 1.639 0.000 4.989) 5.252 10.708 ( -0.712 0.000 2.275) 2.384 10.709 ( 0.918 0.000 -6.751) 6.813 10.864 ( -6.402 0.000 -7.722) 10.030 10.887 ( 1.195 0.000 -1.311) 1.774 11.169 ( 3.187 0.000 4.202) 5.274 11.283 ( 2.635 0.000 -5.049) 5.695 12.758 ( -0.898 0.000 5.726) 5.796 12.876 ( 0.399 0.000 -0.688) 0.796 12.935 ( -0.045 0.000 -2.229) 2.229 13.130 ( 5.971 0.000 -4.707) 7.603 13.876 ( -2.102 0.000 -0.216) 2.113 13.921 ( -1.149 0.000 -1.407) 1.817 14.206 ( -2.228 0.000 0.184) 2.235 14.231 ( 0.026 0.000 -0.120) 0.123 15.922 ( 4.384 0.000 1.591) 4.664 15.965 ( 2.697 0.000 -2.323) 3.560 16.667 ( -0.628 0.000 1.207) 1.361 16.725 ( 0.596 0.000 -0.651) 0.883 16.915 ( 1.148 0.000 0.901) 1.459 17.057 ( 0.987 0.000 -6.766) 6.838 17.194 ( -2.870 0.000 3.958) 4.889 17.342 ( 0.052 0.000 -1.164) 1.166 17.827 ( -3.101 0.000 1.271) 3.352 17.836 ( -3.165 0.000 0.120) 3.167 18.463 ( -0.204 0.000 -0.064) 0.214 18.477 ( 0.562 0.000 -0.268) 0.623 18.681 ( -1.051 0.000 1.286) 1.661 18.725 ( -1.501 0.000 -0.967) 1.786 19.290 ( 1.158 0.000 -0.168) 1.170 19.303 ( 1.133 0.000 -1.003) 1.513 20.073 ( -2.295 0.000 1.245) 2.611 20.212 ( 3.583 0.000 -2.145) 4.176 20.313 ( -0.180 0.000 2.041) 2.049 20.331 ( 0.708 0.000 0.061) 0.711 22.772 ( 6.707 0.000 29.959) 30.701 23.199 ( -15.481 0.000 -11.224) 19.122 24.512 ( -1.781 0.000 4.116) 4.484 25.031 ( 10.520 0.000 -16.312) 19.410 25.820 ( -1.149 0.000 5.605) 5.721 25.837 ( -0.281 0.000 0.476) 0.553 26.153 ( -3.211 0.000 2.445) 4.036 26.331 ( 1.611 0.000 -2.613) 3.070 26.542 ( -6.372 0.000 1.624) 6.576 26.762 ( 3.137 0.000 -0.641) 3.202 31.847 ( 4.290 0.000 2.054) 4.756 31.953 ( -1.438 0.000 -6.028) 6.197 32.565 ( -1.896 0.000 17.941) 18.041 32.921 ( -4.682 0.000 -4.750) 6.669 ======================= Grid point 68 (26/75) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -26.921 0.000 -25.625) 37.167 1.249 ( -32.348 0.000 4.879) 32.714 1.949 ( 7.868 0.000 -9.886) 12.635 1.950 ( -22.718 0.000 25.248) 33.964 2.187 ( 15.152 0.000 4.360) 15.766 2.476 ( -14.803 0.000 6.160) 16.034 2.753 ( 1.745 0.000 4.251) 4.595 2.961 ( -4.758 0.000 4.702) 6.690 3.064 ( -3.476 0.000 4.633) 5.792 3.204 ( 6.017 0.000 -8.165) 10.143 3.479 ( 2.138 0.000 -1.591) 2.665 3.539 ( 7.273 0.000 -3.092) 7.903 3.766 ( -2.927 0.000 8.665) 9.146 3.871 ( 20.870 0.000 0.988) 20.893 3.937 ( -7.077 0.000 -4.282) 8.271 4.004 ( -4.358 0.000 -6.613) 7.920 4.346 ( -3.355 0.000 -0.781) 3.444 4.389 ( 8.023 0.000 4.791) 9.344 4.391 ( -3.079 0.000 2.344) 3.870 4.442 ( 2.323 0.000 -0.353) 2.350 4.506 ( 2.148 0.000 1.967) 2.912 4.669 ( -6.176 0.000 -0.333) 6.185 4.857 ( 1.117 0.000 4.487) 4.624 4.950 ( 1.698 0.000 7.007) 7.210 5.012 ( -6.392 0.000 -3.483) 7.279 5.371 ( 3.744 0.000 -4.613) 5.941 5.379 ( -2.567 0.000 -7.024) 7.479 5.467 ( 0.347 0.000 -2.618) 2.641 5.522 ( -1.888 0.000 -8.515) 8.722 5.554 ( -0.170 0.000 4.213) 4.216 5.711 ( -0.625 0.000 1.498) 1.623 5.819 ( -1.639 0.000 1.007) 1.924 6.074 ( -8.380 0.000 -8.981) 12.283 6.125 ( -6.184 0.000 -2.518) 6.677 6.217 ( -7.523 0.000 0.796) 7.565 6.252 ( 0.101 0.000 -8.626) 8.626 6.293 ( 4.910 0.000 9.759) 10.925 6.394 ( 2.888 0.000 -8.505) 8.982 6.530 ( 3.995 0.000 -0.338) 4.009 6.615 ( -4.432 0.000 5.194) 6.828 6.618 ( 7.113 0.000 5.795) 9.175 6.626 ( -3.928 0.000 2.982) 4.931 6.809 ( 2.566 0.000 -0.941) 2.733 6.827 ( -0.444 0.000 -0.935) 1.035 6.901 ( -0.825 0.000 -2.404) 2.541 7.081 ( -9.593 0.000 6.614) 11.653 7.116 ( 1.138 0.000 1.092) 1.578 7.350 ( 6.045 0.000 -5.701) 8.309 7.451 ( -2.553 0.000 10.816) 11.113 7.480 ( 10.994 0.000 -6.291) 12.666 7.627 ( -5.079 0.000 2.083) 5.489 7.774 ( 4.967 0.000 3.368) 6.002 7.810 ( -0.205 0.000 -2.417) 2.426 7.958 ( 4.803 0.000 -0.974) 4.901 8.135 ( -11.779 0.000 9.107) 14.889 8.215 ( 1.153 0.000 -6.992) 7.086 8.315 ( 11.923 0.000 -0.962) 11.961 8.345 ( -2.667 0.000 -5.509) 6.121 8.430 ( 5.735 0.000 6.419) 8.607 8.531 ( -0.627 0.000 1.814) 1.919 8.571 ( 1.377 0.000 -3.608) 3.861 8.631 ( -1.458 0.000 1.009) 1.773 8.958 ( 4.412 0.000 0.019) 4.412 9.144 ( 3.500 0.000 6.112) 7.043 9.150 ( 1.391 0.000 2.038) 2.467 9.272 ( -2.846 0.000 -9.494) 9.911 10.034 ( -0.451 0.000 0.761) 0.885 10.135 ( 3.204 0.000 -0.089) 3.205 10.247 ( 2.069 0.000 3.119) 3.743 10.353 ( -6.230 0.000 1.132) 6.332 10.491 ( -2.379 0.000 -1.427) 2.775 10.589 ( -3.360 0.000 -5.628) 6.555 10.615 ( -5.018 0.000 -3.138) 5.918 10.685 ( -0.746 0.000 -7.048) 7.087 10.713 ( 0.911 0.000 -0.939) 1.309 10.957 ( 1.969 0.000 7.612) 7.863 11.236 ( -1.529 0.000 5.150) 5.372 11.297 ( 4.952 0.000 -6.551) 8.212 12.846 ( 3.726 0.000 3.098) 4.846 12.906 ( 4.888 0.000 -2.307) 5.405 12.937 ( 3.106 0.000 0.491) 3.145 13.213 ( 7.292 0.000 -3.673) 8.165 13.807 ( -4.606 0.000 -0.659) 4.653 13.853 ( -5.161 0.000 -0.292) 5.170 14.148 ( -4.367 0.000 0.843) 4.448 14.223 ( -0.674 0.000 -0.534) 0.860 16.048 ( 8.689 0.000 -2.762) 9.117 16.060 ( 7.882 0.000 2.301) 8.211 16.666 ( -0.787 0.000 1.202) 1.437 16.727 ( 0.679 0.000 -1.116) 1.307 16.961 ( 2.632 0.000 1.230) 2.905 17.005 ( 0.386 0.000 -6.108) 6.120 17.166 ( -4.313 0.000 3.905) 5.818 17.329 ( 0.044 0.000 -1.335) 1.336 17.723 ( -9.516 0.000 1.796) 9.684 17.726 ( -7.569 0.000 -2.387) 7.937 18.463 ( 0.208 0.000 0.250) 0.326 18.487 ( 0.656 0.000 -0.028) 0.656 18.660 ( -2.429 0.000 0.941) 2.605 18.673 ( -2.965 0.000 -0.734) 3.054 19.324 ( 1.897 0.000 -0.681) 2.015 19.324 ( 2.645 0.000 -0.286) 2.660 20.045 ( -1.731 0.000 0.709) 1.870 20.253 ( 2.979 0.000 -2.052) 3.618 20.337 ( 0.629 0.000 1.971) 2.069 20.356 ( 2.095 0.000 -0.391) 2.132 22.795 ( -13.939 0.000 -13.685) 19.534 23.317 ( 13.987 0.000 46.919) 48.959 24.520 ( -1.578 0.000 4.152) 4.442 25.047 ( 10.829 0.000 -21.995) 24.516 25.815 ( -1.669 0.000 -1.319) 2.127 25.851 ( -1.664 0.000 7.867) 8.041 26.125 ( -2.955 0.000 4.150) 5.095 26.329 ( 0.868 0.000 -2.754) 2.887 26.391 ( -10.421 0.000 -5.178) 11.636 26.817 ( 2.604 0.000 1.349) 2.933 31.874 ( -0.180 0.000 -6.227) 6.229 31.947 ( 3.950 0.000 2.267) 4.554 32.769 ( 1.831 0.000 26.017) 26.082 32.780 ( -4.355 0.000 -6.003) 7.416 ======================= Grid point 69 (27/75) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.365 ( -5.707 0.000 21.413) 22.161 0.767 ( -29.518 0.000 18.432) 34.800 1.562 ( -50.985 0.000 40.785) 65.291 1.930 ( 14.592 0.000 -19.993) 24.752 2.180 ( -13.091 0.000 -4.615) 13.880 2.556 ( 13.560 0.000 0.578) 13.572 2.852 ( 3.843 0.000 -0.285) 3.854 2.991 ( -9.872 0.000 7.317) 12.288 3.149 ( 12.984 0.000 1.338) 13.053 3.313 ( 9.230 0.000 -0.577) 9.248 3.502 ( 0.804 0.000 -5.418) 5.477 3.593 ( -0.794 0.000 0.953) 1.241 3.741 ( -7.393 0.000 1.327) 7.511 3.859 ( 1.244 0.000 5.610) 5.747 3.897 ( 5.414 0.000 -12.235) 13.380 4.215 ( 8.177 0.000 -7.975) 11.422 4.223 ( -3.885 0.000 -2.032) 4.384 4.339 ( 2.576 0.000 -6.065) 6.589 4.452 ( 3.509 0.000 1.719) 3.907 4.533 ( 3.677 0.000 1.830) 4.107 4.596 ( 3.905 0.000 -0.223) 3.911 4.605 ( -3.223 0.000 9.627) 10.153 4.845 ( -6.722 0.000 0.634) 6.752 4.943 ( 0.420 0.000 13.280) 13.286 5.074 ( 4.607 0.000 -4.109) 6.173 5.250 ( -4.678 0.000 -11.216) 12.152 5.366 ( 2.569 0.000 -0.578) 2.633 5.404 ( -12.830 0.000 -0.242) 12.832 5.462 ( 2.111 0.000 -2.424) 3.214 5.562 ( 8.130 0.000 3.657) 8.915 5.708 ( -4.501 0.000 0.656) 4.548 5.809 ( -6.141 0.000 0.086) 6.142 5.875 ( -0.955 0.000 -10.401) 10.445 5.956 ( 0.009 0.000 -5.302) 5.302 5.988 ( -9.715 0.000 -9.045) 13.274 6.170 ( -5.522 0.000 0.321) 5.531 6.339 ( -8.999 0.000 -7.886) 11.965 6.439 ( -12.357 0.000 -7.850) 14.640 6.524 ( -1.307 0.000 3.677) 3.903 6.628 ( 11.454 0.000 1.187) 11.515 6.636 ( 4.269 0.000 -4.915) 6.510 6.658 ( 2.067 0.000 0.200) 2.076 6.779 ( -3.188 0.000 -3.133) 4.470 6.891 ( 3.838 0.000 8.390) 9.226 6.992 ( -5.036 0.000 4.186) 6.548 7.035 ( 7.737 0.000 3.957) 8.690 7.134 ( 0.975 0.000 -0.101) 0.980 7.302 ( -2.029 0.000 -8.873) 9.102 7.511 ( -0.739 0.000 5.802) 5.848 7.537 ( 2.549 0.000 0.994) 2.736 7.612 ( -6.349 0.000 -12.580) 14.091 7.837 ( 7.072 0.000 8.467) 11.032 7.849 ( 1.223 0.000 -0.539) 1.337 7.949 ( -20.485 0.000 17.456) 26.913 8.028 ( -2.660 0.000 -1.829) 3.228 8.047 ( 4.010 0.000 0.968) 4.126 8.391 ( 9.983 0.000 -5.332) 11.317 8.437 ( -1.739 0.000 1.950) 2.613 8.553 ( 0.930 0.000 -0.991) 1.358 8.576 ( -1.019 0.000 0.606) 1.186 8.653 ( 14.005 0.000 -3.253) 14.378 8.770 ( 13.415 0.000 9.035) 16.174 8.983 ( -0.738 0.000 -1.398) 1.580 9.147 ( 1.053 0.000 -8.535) 8.600 9.306 ( 6.544 0.000 3.954) 7.645 9.370 ( 14.611 0.000 32.438) 35.577 10.027 ( -1.862 0.000 0.639) 1.969 10.138 ( -11.699 0.000 -15.152) 19.142 10.165 ( 0.549 0.000 -1.152) 1.276 10.279 ( 1.377 0.000 -3.382) 3.652 10.384 ( -8.272 0.000 -0.751) 8.306 10.440 ( -0.335 0.000 -1.944) 1.972 10.480 ( -1.657 0.000 2.224) 2.773 10.712 ( -0.989 0.000 3.960) 4.082 10.731 ( 1.926 0.000 -0.854) 2.107 11.047 ( -3.696 0.000 10.517) 11.148 11.209 ( -6.275 0.000 5.456) 8.315 11.338 ( 5.728 0.000 -4.256) 7.136 12.904 ( 1.096 0.000 2.922) 3.121 13.011 ( 9.691 0.000 -4.079) 10.515 13.078 ( 6.935 0.000 3.563) 7.797 13.305 ( 5.921 0.000 -3.292) 6.775 13.721 ( -2.604 0.000 -1.066) 2.813 13.738 ( -7.724 0.000 1.538) 7.876 14.081 ( -4.227 0.000 2.492) 4.907 14.199 ( -0.631 0.000 -1.299) 1.445 16.200 ( 9.692 0.000 -2.271) 9.954 16.214 ( 5.511 0.000 2.035) 5.875 16.662 ( -0.827 0.000 0.948) 1.258 16.729 ( 1.016 0.000 -1.609) 1.903 16.968 ( 0.877 0.000 -1.417) 1.667 17.031 ( 3.887 0.000 0.901) 3.990 17.119 ( -4.700 0.000 3.557) 5.894 17.327 ( 1.374 0.000 -1.144) 1.788 17.520 ( -10.405 0.000 -6.189) 12.106 17.540 ( -11.664 0.000 1.742) 11.793 18.478 ( 0.997 0.000 0.716) 1.227 18.499 ( 0.435 0.000 0.116) 0.450 18.618 ( -2.156 0.000 -0.222) 2.167 18.620 ( -2.301 0.000 0.332) 2.325 19.354 ( 1.632 0.000 0.006) 1.632 19.371 ( 2.505 0.000 -0.430) 2.542 20.030 ( -0.695 0.000 0.969) 1.192 20.270 ( 1.476 0.000 -3.613) 3.903 20.368 ( 0.631 0.000 0.947) 1.138 20.394 ( 2.452 0.000 -0.824) 2.587 22.493 ( -4.696 0.000 -9.297) 10.415 24.159 ( 26.053 0.000 19.429) 32.500 24.538 ( -0.939 0.000 4.093) 4.199 24.800 ( -14.201 0.000 -49.692) 51.681 25.769 ( -1.210 0.000 -1.566) 1.979 25.849 ( -19.941 0.000 -4.257) 20.390 26.017 ( -0.303 0.000 -0.225) 0.377 26.305 ( 9.614 0.000 27.938) 29.545 26.308 ( 0.582 0.000 -3.855) 3.899 26.870 ( 0.722 0.000 2.265) 2.377 31.844 ( 2.860 0.000 -4.073) 4.977 32.024 ( 1.996 0.000 2.057) 2.866 32.664 ( -1.674 0.000 -5.676) 5.917 33.034 ( -1.698 0.000 -2.784) 3.261 ======================= Grid point 70 (28/75) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 6.509 20.520 19.525) 29.063 0.964 ( -18.344 18.057 22.144) 33.955 1.746 ( -3.006 22.887 17.806) 29.153 1.939 ( 2.199 1.834 -12.697) 13.016 2.207 ( 12.096 18.306 -3.572) 22.230 2.602 ( 0.028 0.186 -2.234) 2.242 2.698 ( -18.101 -5.939 3.368) 19.346 2.859 ( -6.507 -4.037 6.985) 10.365 3.024 ( 6.641 2.091 0.483) 6.980 3.121 ( -7.718 -4.475 1.197) 9.001 3.440 ( -7.105 1.591 -2.732) 7.777 3.640 ( 3.423 -1.372 1.466) 3.968 3.728 ( 3.051 5.329 -3.873) 7.261 3.897 ( 1.065 3.093 -4.943) 5.927 3.967 ( -0.468 -4.644 12.399) 13.249 4.194 ( 7.382 3.241 -4.529) 9.247 4.216 ( -1.188 3.368 -12.803) 13.292 4.354 ( -0.670 -4.681 -3.486) 5.875 4.391 ( -0.567 1.872 -0.167) 1.963 4.541 ( -1.457 0.062 -3.293) 3.602 4.615 ( 0.162 -4.088 -1.469) 4.347 4.774 ( -2.493 1.621 3.728) 4.769 4.825 ( 3.292 2.484 4.435) 6.056 4.933 ( -3.457 -5.700 10.413) 12.364 5.075 ( 0.346 -5.099 3.112) 5.983 5.152 ( 2.278 -1.807 -2.405) 3.774 5.300 ( 1.473 5.300 -5.574) 7.831 5.373 ( 3.160 -4.415 2.201) 5.859 5.416 ( 2.015 -0.453 -1.978) 2.859 5.547 ( -15.067 2.913 -2.451) 15.540 5.656 ( 5.265 2.848 2.523) 6.495 5.741 ( 1.411 -4.858 -8.938) 10.270 5.822 ( 7.521 3.380 -7.569) 11.193 5.925 ( 2.003 0.377 2.528) 3.247 5.956 ( -5.473 -3.248 -4.815) 7.980 6.093 ( 2.361 0.963 -3.769) 4.551 6.178 ( 7.302 6.924 5.856) 11.643 6.350 ( -4.505 2.049 -0.637) 4.990 6.373 ( -3.755 -4.339 2.877) 6.419 6.555 ( -2.775 -2.107 -2.236) 4.140 6.683 ( -0.866 -1.323 -2.658) 3.093 6.739 ( -1.644 0.975 -10.154) 10.333 6.849 ( -0.460 -2.393 6.519) 6.960 6.931 ( 0.691 -3.779 -0.377) 3.860 7.029 ( 0.195 4.261 -1.901) 4.670 7.163 ( -4.758 6.485 1.687) 8.218 7.216 ( 3.299 1.165 -5.515) 6.531 7.269 ( 5.736 2.953 1.634) 6.656 7.453 ( -0.138 -2.053 -1.966) 2.846 7.493 ( -0.280 -2.236 1.713) 2.830 7.612 ( 2.174 -1.702 2.919) 4.018 7.786 ( -15.154 2.604 16.121) 22.278 7.793 ( -0.017 -3.904 -2.747) 4.774 7.989 ( -2.126 -0.574 5.198) 5.645 8.013 ( 5.783 -3.672 7.960) 10.502 8.153 ( 6.334 -4.112 0.723) 7.586 8.383 ( 0.329 -0.235 -3.429) 3.453 8.464 ( 0.564 -5.535 -1.990) 5.909 8.526 ( -2.856 0.588 -1.274) 3.182 8.582 ( 7.962 0.172 -1.830) 8.172 8.674 ( 0.792 -8.332 3.472) 9.061 8.807 ( -4.189 2.845 8.986) 10.314 9.019 ( -0.090 1.097 -7.728) 7.806 9.169 ( -1.207 0.646 -5.491) 5.659 9.329 ( 3.444 -2.136 4.039) 5.722 9.608 ( -7.687 -6.555 -4.017) 10.872 9.948 ( 0.470 -4.625 1.178) 4.795 10.079 ( 1.120 -0.168 1.544) 1.915 10.169 ( -0.884 -5.862 -2.305) 6.360 10.268 ( 1.803 1.526 -5.309) 5.810 10.364 ( -0.916 2.812 1.395) 3.270 10.502 ( 1.438 3.455 -2.908) 4.740 10.687 ( -4.260 -0.082 4.064) 5.888 10.737 ( 6.311 -3.124 6.858) 9.829 10.912 ( -5.616 -5.543 -0.624) 7.916 11.028 ( 11.377 1.424 -0.784) 11.493 11.245 ( 3.364 1.877 -0.280) 3.863 11.441 ( 8.323 -0.986 -2.484) 8.742 12.896 ( -1.335 -0.400 1.288) 1.897 13.071 ( 2.092 -4.963 -3.497) 6.421 13.172 ( -0.407 0.204 2.172) 2.219 13.333 ( 1.786 -1.347 -3.613) 4.250 13.710 ( -4.467 5.093 0.315) 6.782 13.777 ( 4.086 2.579 -1.681) 5.116 14.070 ( -1.228 1.152 3.281) 3.688 14.211 ( 1.241 2.001 -1.911) 3.032 16.249 ( -1.964 -0.723 0.656) 2.193 16.298 ( 2.445 -1.125 -0.835) 2.818 16.665 ( -0.632 0.714 1.139) 1.486 16.740 ( 0.501 0.626 -1.779) 1.951 17.025 ( 4.003 -2.500 2.132) 5.179 17.075 ( 2.207 -2.703 1.173) 3.681 17.126 ( -1.105 0.419 0.005) 1.182 17.213 ( -1.485 -1.296 -2.207) 2.959 17.374 ( -2.330 0.836 1.879) 3.108 17.438 ( 1.070 1.662 0.700) 2.096 18.495 ( 0.014 1.060 1.072) 1.508 18.563 ( 0.549 1.348 -2.275) 2.701 18.599 ( -0.138 0.182 0.044) 0.232 18.609 ( 0.880 1.374 -0.849) 1.840 19.369 ( -0.350 -0.183 0.362) 0.536 19.395 ( 0.349 0.063 -0.378) 0.519 20.062 ( 1.490 1.216 1.123) 2.228 20.145 ( -6.214 -2.573 -0.529) 6.747 20.374 ( -2.667 2.160 2.089) 4.018 20.435 ( 1.069 1.479 -0.546) 1.905 22.164 ( -37.028 -15.147 17.556) 43.689 22.542 ( 1.863 -5.723 -3.301) 6.864 24.634 ( 0.375 1.733 -1.222) 2.153 24.900 ( 6.441 3.116 -13.687) 15.444 25.610 ( -4.056 -0.905 5.985) 7.286 25.812 ( 2.916 2.881 -1.068) 4.237 26.105 ( 1.298 4.253 1.688) 4.756 26.277 ( -1.607 -0.341 -3.939) 4.268 26.585 ( 1.387 0.433 19.829) 19.883 27.387 ( 3.411 12.641 -22.443) 25.983 31.880 ( -5.469 -3.303 0.667) 6.424 31.906 ( -3.447 -2.693 -0.756) 4.439 32.202 ( -7.703 -4.329 11.592) 14.576 32.621 ( 0.426 -3.376 -7.320) 8.072 ======================= Grid point 71 (29/75) ======================= q-point: ( 0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 8.226 14.104 14.668) 21.948 1.311 ( 14.950 12.058 19.695) 27.510 1.704 ( -0.604 2.287 -20.994) 21.127 2.032 ( 3.753 6.256 -13.821) 15.629 2.276 ( 3.202 18.311 16.541) 24.883 2.526 ( -1.014 -0.806 1.958) 2.347 2.732 ( 8.534 11.339 11.015) 17.965 2.867 ( -5.170 3.802 13.198) 14.675 3.096 ( 0.738 0.039 9.251) 9.280 3.160 ( 5.466 -3.524 -4.689) 8.018 3.322 ( -3.390 2.583 -1.510) 4.522 3.675 ( 1.545 4.248 -6.900) 8.249 3.768 ( 6.156 -1.864 -0.719) 6.472 3.859 ( 1.765 1.562 -5.112) 5.629 4.036 ( -5.925 0.788 -11.911) 13.326 4.129 ( 2.662 -2.229 8.176) 8.883 4.239 ( -1.095 -4.777 -0.028) 4.901 4.278 ( 3.393 1.431 -2.384) 4.386 4.393 ( -5.575 6.680 -4.197) 9.660 4.450 ( 0.662 2.770 -2.272) 3.643 4.552 ( -4.661 -1.421 2.785) 5.613 4.688 ( -8.234 -0.075 1.548) 8.379 4.880 ( -3.242 -3.322 6.613) 8.079 4.972 ( 0.562 2.261 4.748) 5.289 5.048 ( -8.299 -0.888 -1.275) 8.443 5.176 ( 3.613 -7.575 -3.249) 8.999 5.355 ( 9.992 -1.555 -4.768) 11.180 5.424 ( 7.057 -1.009 1.597) 7.306 5.473 ( 1.390 -4.695 -1.783) 5.211 5.539 ( 0.120 -2.448 1.235) 2.744 5.631 ( 4.892 3.239 4.503) 7.396 5.736 ( 1.223 -7.670 -9.155) 12.006 5.843 ( 3.006 -4.938 -10.617) 12.089 5.893 ( 3.408 5.147 1.200) 6.289 6.064 ( -1.349 2.382 -7.444) 7.931 6.123 ( 13.574 1.532 1.651) 13.759 6.246 ( -1.721 2.889 -0.540) 3.406 6.407 ( 7.553 4.774 3.699) 9.671 6.445 ( 2.957 -6.009 6.018) 9.003 6.485 ( -0.784 -2.393 1.173) 2.778 6.640 ( -0.407 0.048 -5.502) 5.518 6.656 ( 0.652 -1.133 -1.969) 2.364 6.775 ( -6.921 0.727 2.607) 7.431 6.927 ( -3.573 -1.327 0.362) 3.829 6.982 ( -2.001 4.198 -2.802) 5.430 7.136 ( -0.144 3.022 0.812) 3.132 7.239 ( 0.875 -1.836 0.666) 2.140 7.358 ( 1.853 -1.523 -2.330) 3.344 7.444 ( -0.966 1.279 1.995) 2.559 7.504 ( 3.851 -0.899 0.098) 3.956 7.640 ( -2.684 -1.228 3.497) 4.576 7.742 ( -0.421 -1.804 -4.239) 4.626 7.799 ( 0.625 4.534 10.056) 11.049 8.014 ( -4.843 -2.106 11.299) 12.472 8.093 ( 1.897 0.582 -0.710) 2.107 8.277 ( 0.397 -4.244 1.205) 4.430 8.307 ( -1.376 1.435 -7.310) 7.576 8.424 ( -1.705 -4.923 -1.963) 5.567 8.472 ( -2.855 -4.780 1.752) 5.837 8.546 ( -10.745 -0.258 0.250) 10.751 8.704 ( 2.776 1.417 -3.754) 4.879 8.808 ( -4.514 -2.731 4.736) 7.090 8.920 ( -4.457 -0.910 -2.262) 5.080 9.037 ( -6.514 0.305 -1.348) 6.659 9.422 ( -1.027 4.182 9.156) 10.118 9.482 ( 1.881 -7.465 -6.993) 10.400 9.967 ( 0.589 -1.959 1.604) 2.600 10.090 ( -0.938 -4.413 -0.498) 4.539 10.169 ( 3.467 -3.216 -6.679) 8.184 10.273 ( 2.018 -1.820 -0.467) 2.757 10.380 ( -1.656 3.598 3.220) 5.105 10.524 ( 4.105 1.665 -3.717) 5.783 10.557 ( -10.001 -1.970 3.650) 10.827 10.701 ( -3.001 4.800 -0.842) 5.724 10.917 ( 4.687 -2.202 -4.916) 7.140 11.093 ( -5.382 -2.485 7.250) 9.365 11.288 ( -1.071 -5.431 0.330) 5.545 11.515 ( 0.953 -3.547 -4.757) 6.010 12.872 ( 0.084 0.001 -1.462) 1.465 13.077 ( -1.559 0.097 -1.788) 2.374 13.108 ( -7.715 -0.532 2.426) 8.105 13.291 ( -1.993 -1.937 -3.801) 4.709 13.675 ( 1.577 2.607 -0.157) 3.051 13.824 ( 2.898 2.597 0.416) 3.914 14.118 ( 2.778 1.021 2.598) 3.938 14.227 ( 2.146 2.084 -1.842) 3.513 16.138 ( -8.870 -0.760 -0.230) 8.906 16.261 ( -5.936 -0.831 0.089) 5.994 16.667 ( -0.522 0.750 1.302) 1.591 16.728 ( 0.175 0.331 -1.677) 1.718 17.022 ( -3.547 0.192 -1.272) 3.773 17.100 ( 0.887 -1.841 0.370) 2.077 17.164 ( 2.606 -3.450 3.381) 5.489 17.205 ( 0.227 -1.410 -2.504) 2.883 17.442 ( 10.676 -1.849 -1.952) 11.009 17.570 ( 8.752 2.022 1.383) 9.088 18.501 ( -0.577 1.253 1.053) 1.736 18.533 ( -1.091 2.106 -1.531) 2.823 18.616 ( 1.705 0.348 0.034) 1.741 18.639 ( 3.096 0.651 -0.418) 3.191 19.348 ( -1.863 -0.240 0.027) 1.878 19.377 ( -1.632 0.514 -0.392) 1.756 20.069 ( -1.172 -0.531 1.179) 1.745 20.103 ( 1.477 0.597 0.359) 1.633 20.342 ( -2.558 1.661 1.760) 3.521 20.424 ( -1.611 1.853 -0.430) 2.493 21.964 ( -0.463 -0.018 9.834) 9.845 22.854 ( 20.083 -10.225 9.374) 24.408 24.610 ( -2.408 4.424 0.021) 5.037 24.899 ( 7.379 -2.438 -12.353) 14.594 25.626 ( -0.394 -0.820 5.247) 5.326 25.878 ( 4.667 3.795 -0.850) 6.075 26.166 ( 2.697 0.334 2.786) 3.892 26.243 ( 1.723 3.206 -3.120) 4.793 26.730 ( -2.644 1.895 11.596) 12.043 27.097 ( -11.823 8.260 -13.158) 19.523 31.735 ( -2.503 -0.168 -1.348) 2.848 32.001 ( 3.758 -1.876 2.428) 4.852 32.237 ( -1.492 -2.380 9.377) 9.789 32.657 ( 8.292 -6.039 -2.827) 10.640 ======================= Grid point 72 (30/75) ======================= q-point: ( 0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -9.870 7.230 -23.424) 26.427 1.432 ( 17.439 11.455 7.152) 22.057 1.799 ( 17.183 1.129 16.228) 23.662 2.071 ( 16.736 11.302 -12.766) 23.891 2.492 ( -1.686 -3.297 10.133) 10.789 2.603 ( 7.088 7.330 -2.652) 10.536 2.850 ( -1.722 2.453 0.452) 3.031 2.976 ( -2.794 16.314 15.642) 22.773 3.115 ( -6.929 -1.778 -0.561) 7.176 3.174 ( 1.166 0.457 -0.007) 1.253 3.299 ( -2.349 4.446 9.273) 10.549 3.706 ( 0.098 0.364 2.210) 2.242 3.732 ( -2.902 -2.226 -0.318) 3.672 3.849 ( 3.823 6.543 -14.285) 16.170 3.935 ( 0.673 -1.958 2.359) 3.138 4.089 ( -7.257 5.827 -5.608) 10.866 4.164 ( -1.018 2.074 1.698) 2.867 4.334 ( 2.229 -1.164 3.671) 4.449 4.390 ( 1.942 -3.428 -0.639) 3.991 4.490 ( 2.118 2.868 -2.699) 4.472 4.573 ( 8.661 -0.645 4.632) 9.843 4.607 ( -1.574 3.587 2.360) 4.573 4.736 ( -10.901 2.817 1.977) 11.432 5.012 ( 5.722 -3.768 -2.356) 7.245 5.088 ( 1.191 -6.738 -1.087) 6.928 5.181 ( 1.215 -0.971 3.230) 3.585 5.286 ( -7.274 -1.256 -4.373) 8.580 5.454 ( 3.435 -6.696 -9.195) 11.882 5.564 ( 2.189 -2.137 -2.192) 3.764 5.618 ( 1.299 -4.543 -0.545) 4.756 5.676 ( 7.619 -2.253 0.153) 7.947 5.788 ( 4.146 1.417 -0.844) 4.462 5.875 ( 4.848 -2.559 1.390) 5.656 5.940 ( -1.494 -0.040 1.850) 2.378 6.060 ( 7.680 3.591 -3.668) 9.238 6.138 ( -6.499 -2.818 -3.210) 7.776 6.360 ( 3.479 -0.392 3.828) 5.187 6.403 ( 1.831 0.485 1.965) 2.730 6.491 ( -3.089 -4.655 2.776) 6.238 6.613 ( 4.486 -0.762 -2.848) 5.369 6.646 ( 2.096 -1.279 0.840) 2.595 6.673 ( 2.272 -0.170 2.599) 3.457 6.773 ( 6.349 -2.808 -0.502) 6.960 6.884 ( -2.604 0.224 -6.416) 6.928 6.917 ( 1.197 2.624 4.348) 5.217 7.115 ( -3.518 1.663 2.176) 4.458 7.249 ( 1.270 7.103 -0.199) 7.219 7.353 ( -1.508 -0.777 -0.928) 1.934 7.507 ( 3.077 -4.457 8.300) 9.910 7.561 ( 1.582 -0.269 -2.923) 3.335 7.634 ( 1.349 -0.764 -0.559) 1.648 7.675 ( -3.892 -0.816 -4.974) 6.369 7.900 ( -0.837 4.506 5.644) 7.270 7.971 ( -6.923 1.604 4.876) 8.619 8.104 ( -3.831 2.263 -6.915) 8.223 8.191 ( 2.300 0.294 -1.683) 2.865 8.235 ( -0.903 3.536 -1.832) 4.084 8.315 ( -8.069 -4.435 0.032) 9.208 8.427 ( -1.451 -5.139 2.596) 5.938 8.502 ( 2.873 -7.103 -0.486) 7.678 8.601 ( -11.388 -0.822 -1.386) 11.501 8.694 ( -8.167 1.580 0.902) 8.367 8.843 ( -2.254 -3.872 3.938) 5.965 9.046 ( 6.907 1.930 -2.841) 7.714 9.438 ( -9.298 2.366 8.521) 12.832 9.479 ( 3.476 -6.262 -6.033) 9.365 10.003 ( 1.257 -1.219 1.186) 2.115 10.042 ( -2.046 -3.996 -4.252) 6.184 10.078 ( -4.011 1.409 -2.740) 5.057 10.308 ( -2.666 -3.764 4.158) 6.210 10.364 ( 5.910 -4.174 -2.898) 7.794 10.575 ( 4.191 -1.901 3.424) 5.736 10.590 ( 5.459 5.021 -4.004) 8.429 10.664 ( -0.237 5.474 0.647) 5.517 10.926 ( 1.457 -3.223 -4.970) 6.101 11.055 ( -4.823 -0.160 5.378) 7.226 11.206 ( -8.474 -6.615 1.896) 10.917 11.429 ( -3.699 1.202 -4.288) 5.789 12.851 ( -4.052 1.047 2.383) 4.816 12.987 ( -2.469 0.506 -2.877) 3.825 13.005 ( -5.441 -0.022 0.553) 5.469 13.202 ( -2.846 2.644 -3.552) 5.264 13.756 ( 6.248 -1.725 -0.483) 6.500 13.887 ( 3.068 2.196 0.139) 3.776 14.194 ( 2.707 0.931 1.572) 3.266 14.247 ( 1.751 2.464 -1.288) 3.286 15.976 ( -7.619 -0.688 -0.274) 7.655 16.120 ( -8.369 -0.564 -0.133) 8.389 16.671 ( -0.468 0.837 1.310) 1.623 16.719 ( 0.462 0.248 -1.060) 1.182 16.949 ( -2.558 0.550 -1.163) 2.864 17.112 ( 1.699 -0.432 -3.559) 3.967 17.181 ( -0.928 0.687 2.879) 3.102 17.252 ( 2.522 -5.812 1.096) 6.430 17.627 ( 10.864 -2.363 -1.992) 11.295 17.732 ( 6.896 0.119 1.218) 7.004 18.496 ( -0.724 1.410 0.529) 1.671 18.508 ( -0.436 2.300 -0.765) 2.463 18.653 ( 1.920 0.651 0.322) 2.053 18.700 ( 3.437 0.330 -0.361) 3.471 19.312 ( -1.733 -0.312 -0.269) 1.782 19.339 ( -1.795 0.680 -0.566) 2.001 20.086 ( 0.456 -1.227 1.611) 2.076 20.126 ( 1.770 -0.226 -1.205) 2.153 20.316 ( -2.104 0.842 1.553) 2.747 20.384 ( -1.944 1.811 -0.386) 2.685 22.151 ( 8.677 -0.363 8.008) 11.813 23.249 ( 7.626 -17.124 11.988) 22.251 24.567 ( -1.016 5.559 -0.564) 5.679 24.925 ( 8.368 -3.500 -11.923) 14.981 25.691 ( 1.228 -0.834 6.021) 6.201 25.929 ( 1.239 5.886 -0.217) 6.019 26.216 ( 2.541 -1.152 -3.926) 4.816 26.317 ( 5.338 7.696 5.614) 10.920 26.687 ( -7.495 1.602 -6.306) 9.925 26.829 ( -8.285 3.673 3.583) 9.745 31.719 ( 1.734 -0.251 -1.758) 2.482 32.044 ( -0.361 -1.935 0.160) 1.974 32.316 ( 0.114 -3.692 8.667) 9.422 32.807 ( 6.717 -10.342 1.451) 12.417 ======================= Grid point 73 (31/75) ======================= q-point: ( 0.43 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 9.189 12.520 -3.767) 15.981 1.775 ( 10.503 8.481 7.666) 15.524 2.050 ( -5.653 -7.964 -4.010) 10.557 2.288 ( 15.827 11.366 -8.631) 21.311 2.411 ( -4.720 -0.957 -4.444) 6.553 2.663 ( -2.465 11.785 2.320) 12.262 2.749 ( -7.061 11.488 -6.150) 14.821 2.908 ( -1.498 1.933 1.111) 2.686 3.053 ( 0.585 0.812 5.095) 5.193 3.256 ( 2.776 4.735 4.330) 6.991 3.411 ( -0.145 0.246 12.615) 12.618 3.577 ( -5.961 2.352 0.414) 6.422 3.786 ( -5.052 1.284 2.914) 5.972 3.787 ( -2.393 1.956 -0.524) 3.134 3.812 ( -0.162 1.314 -9.150) 9.246 4.131 ( 4.169 4.506 3.732) 7.185 4.200 ( 1.183 1.000 3.738) 4.046 4.383 ( -1.350 -2.560 2.987) 4.160 4.389 ( -0.773 0.227 2.267) 2.406 4.448 ( -2.519 -1.876 -5.314) 6.173 4.558 ( -2.806 2.931 0.713) 4.120 4.691 ( 3.832 1.372 -3.611) 5.441 4.885 ( 8.503 2.202 10.793) 13.916 5.015 ( 0.484 -10.713 -6.110) 12.342 5.097 ( 7.065 -2.165 -2.062) 7.672 5.169 ( 0.420 -1.181 -1.672) 2.090 5.274 ( -1.993 1.348 1.755) 2.978 5.375 ( -2.359 -0.826 -4.123) 4.821 5.505 ( 2.148 -0.246 -6.061) 6.435 5.692 ( 0.601 -3.249 1.466) 3.614 5.755 ( -1.004 3.968 -6.002) 7.265 5.822 ( 0.161 -0.795 0.174) 0.830 5.877 ( 5.860 -3.070 4.347) 7.916 5.987 ( 2.752 0.806 6.206) 6.837 6.119 ( 1.717 -7.550 4.383) 8.897 6.191 ( 3.983 0.037 1.841) 4.388 6.316 ( -5.308 -6.490 1.353) 8.493 6.467 ( 1.067 -4.143 -3.216) 5.352 6.488 ( -2.436 1.041 -5.387) 6.003 6.554 ( -0.539 -5.163 0.955) 5.278 6.662 ( -0.026 -2.565 2.129) 3.334 6.731 ( -2.233 -5.870 3.041) 6.978 6.867 ( 2.053 1.317 -1.270) 2.750 6.911 ( 4.859 2.512 1.608) 5.701 7.005 ( 4.104 -0.381 0.452) 4.147 7.087 ( 1.821 2.458 -3.002) 4.286 7.255 ( -3.164 8.267 -0.251) 8.856 7.313 ( -2.098 -0.570 0.857) 2.337 7.477 ( -8.388 2.226 -1.657) 8.835 7.506 ( -1.801 6.998 -3.692) 8.114 7.562 ( -0.318 -0.659 -2.645) 2.744 7.751 ( 7.949 -5.514 3.273) 10.213 7.866 ( -2.130 -0.393 -3.214) 3.875 7.947 ( 0.446 3.711 -3.186) 4.911 8.026 ( -2.840 -0.337 -4.777) 5.568 8.064 ( -0.268 0.381 2.339) 2.385 8.271 ( -3.592 1.629 1.812) 4.340 8.322 ( 2.616 -5.180 -0.488) 5.824 8.410 ( -5.819 2.911 5.505) 8.523 8.449 ( 0.148 -2.579 3.278) 4.174 8.560 ( 3.397 -4.439 0.374) 5.602 8.599 ( -3.763 -0.753 1.372) 4.075 8.859 ( 0.166 -4.366 2.816) 5.198 9.154 ( 6.188 2.287 -2.121) 6.930 9.245 ( -14.862 2.296 1.719) 15.137 9.447 ( 1.876 -6.351 -10.293) 12.239 10.025 ( 1.104 -0.286 0.194) 1.157 10.028 ( 0.290 -2.363 1.395) 2.759 10.036 ( -0.241 -0.455 3.729) 3.764 10.327 ( -0.939 -5.649 5.977) 8.277 10.446 ( 5.234 -2.812 -3.022) 6.666 10.596 ( 0.693 3.506 -2.343) 4.273 10.690 ( 3.880 2.338 -2.365) 5.110 10.709 ( 2.273 1.316 4.496) 5.207 10.890 ( 1.225 -3.967 -6.273) 7.522 10.988 ( -8.897 -3.304 2.060) 9.711 11.099 ( -1.372 -0.435 1.685) 2.216 11.334 ( -1.919 1.731 -3.637) 4.462 12.778 ( -7.040 0.138 6.251) 9.416 12.931 ( -2.296 -2.023 -0.736) 3.148 12.959 ( 1.180 4.612 -2.420) 5.341 13.147 ( 1.806 3.661 -5.490) 6.841 13.855 ( 4.420 -1.353 -0.291) 4.632 13.915 ( -0.056 -0.055 -0.579) 0.584 14.236 ( 0.476 1.288 0.847) 1.614 14.263 ( 0.970 2.849 -0.624) 3.074 15.886 ( -1.871 -0.258 0.378) 1.926 15.991 ( -4.463 -0.715 -1.091) 4.650 16.674 ( -0.546 0.817 1.235) 1.578 16.723 ( 0.626 0.337 -0.434) 0.832 16.913 ( -0.575 0.695 -0.286) 0.947 17.094 ( 1.379 -0.355 -5.622) 5.800 17.197 ( -1.142 0.359 3.447) 3.649 17.292 ( 0.762 -4.174 1.124) 4.389 17.768 ( 5.292 -2.913 -0.465) 6.059 17.824 ( 1.860 -1.391 0.524) 2.381 18.489 ( -0.492 1.652 0.146) 1.730 18.499 ( 0.180 2.138 -0.590) 2.225 18.683 ( 0.659 0.860 0.865) 1.386 18.741 ( 1.357 0.378 -0.698) 1.572 19.288 ( -0.547 -0.035 -0.179) 0.577 19.309 ( -0.582 0.307 -0.851) 1.076 20.091 ( -1.891 -0.703 2.137) 2.939 20.156 ( 3.398 -1.252 -2.256) 4.266 20.298 ( -1.529 0.283 1.788) 2.369 20.356 ( -0.595 1.600 -0.420) 1.758 22.397 ( 6.336 -2.567 14.110) 15.679 23.304 ( -7.063 -16.828 0.092) 18.250 24.573 ( 0.410 6.285 1.706) 6.525 24.964 ( 8.798 -3.102 -12.269) 15.413 25.775 ( -0.009 -0.575 7.772) 7.794 25.937 ( 0.115 8.601 0.603) 8.623 26.212 ( 1.178 3.820 -2.897) 4.937 26.414 ( -5.866 4.170 -6.421) 9.645 26.522 ( 3.065 -3.519 5.805) 7.448 26.776 ( -3.142 3.029 1.590) 4.645 31.756 ( 3.120 -0.631 0.403) 3.208 32.008 ( -1.530 -1.949 -3.333) 4.153 32.399 ( -1.348 -4.660 10.359) 11.438 32.875 ( 0.304 -11.451 -1.052) 11.503 ======================= Grid point 74 (32/75) ======================= q-point: (-0.43 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.874 8.085 6.799) 17.438 1.623 ( -12.311 3.485 -12.939) 18.197 1.926 ( -8.896 5.698 10.380) 14.810 2.214 ( -4.884 0.637 -6.358) 8.043 2.271 ( -15.344 16.966 -13.723) 26.676 2.528 ( 10.629 13.377 -0.528) 17.093 2.818 ( 0.245 -2.861 3.459) 4.495 2.969 ( -1.510 0.318 3.135) 3.495 3.203 ( -10.603 7.220 5.497) 13.956 3.266 ( 9.644 2.100 12.543) 15.961 3.375 ( -7.238 4.107 -1.455) 8.448 3.534 ( 2.395 -1.115 2.551) 3.673 3.639 ( -3.978 0.792 -12.128) 12.789 3.832 ( 6.462 4.899 1.302) 8.213 3.933 ( 9.687 -0.571 7.967) 12.555 4.097 ( -10.168 0.690 -3.193) 10.679 4.271 ( 2.839 0.997 2.959) 4.220 4.323 ( -5.354 -0.927 -0.291) 5.442 4.382 ( 2.725 4.466 4.277) 6.757 4.431 ( 1.781 -3.884 -1.728) 4.609 4.555 ( -1.014 1.060 -0.780) 1.661 4.660 ( -2.988 -5.422 -0.366) 6.201 4.946 ( -0.107 -0.514 -0.332) 0.621 4.981 ( -7.813 -0.129 -2.183) 8.113 5.067 ( -4.910 -1.681 -3.894) 6.489 5.249 ( 7.147 -7.236 -0.702) 10.194 5.319 ( 3.362 -0.178 5.587) 6.523 5.406 ( 8.317 3.488 3.281) 9.597 5.540 ( 4.902 2.039 -6.058) 8.055 5.623 ( -2.794 2.034 -8.483) 9.160 5.739 ( -2.856 -5.108 2.653) 6.425 5.839 ( -0.243 1.990 1.698) 2.628 6.052 ( -0.795 -0.978 5.933) 6.066 6.106 ( 4.683 -2.950 6.575) 8.595 6.174 ( 2.436 -13.008 5.237) 14.232 6.195 ( -3.536 -2.165 -1.343) 4.358 6.266 ( 0.158 0.904 2.224) 2.406 6.417 ( 0.295 -9.253 -3.738) 9.984 6.440 ( 1.884 -4.221 -3.929) 6.067 6.554 ( -1.225 3.015 -6.536) 7.302 6.639 ( -4.094 -3.085 1.977) 5.494 6.690 ( -1.268 -0.547 2.584) 2.930 6.828 ( -4.315 5.926 -2.773) 7.837 6.929 ( 0.236 2.090 -5.049) 5.470 7.005 ( -5.096 0.790 -0.417) 5.174 7.108 ( 3.263 1.659 -0.566) 3.704 7.212 ( -0.701 4.475 2.648) 5.246 7.301 ( 0.681 5.768 1.988) 6.139 7.340 ( -2.444 -3.096 -0.339) 3.959 7.519 ( -1.153 3.278 3.506) 4.936 7.648 ( 7.872 2.635 0.250) 8.305 7.734 ( -5.818 -2.975 -5.112) 8.296 7.843 ( 2.092 -0.453 -0.911) 2.327 7.892 ( 1.898 -0.648 -3.086) 3.680 8.042 ( 1.687 0.139 -0.865) 1.902 8.145 ( 7.397 1.190 -3.523) 8.279 8.248 ( 0.550 -5.706 3.068) 6.502 8.323 ( 0.052 -1.134 0.504) 1.242 8.414 ( -0.748 -6.648 -0.829) 6.741 8.499 ( 0.065 3.584 5.795) 6.815 8.559 ( -3.090 0.710 2.243) 3.884 8.634 ( 3.463 -0.877 0.861) 3.674 8.908 ( 0.733 -3.312 6.120) 6.997 9.024 ( -7.984 0.196 -0.152) 7.988 9.203 ( 2.143 2.025 -5.366) 6.122 9.370 ( 1.029 -3.735 -8.717) 9.539 10.019 ( -0.343 -1.733 -0.137) 1.772 10.056 ( 3.347 -1.765 -0.669) 3.843 10.146 ( 2.227 -0.278 8.288) 8.587 10.365 ( -2.543 -5.485 6.578) 8.935 10.480 ( 1.071 -1.792 -2.094) 2.957 10.573 ( -0.709 -0.818 -2.940) 3.133 10.687 ( 0.757 1.528 -5.025) 5.306 10.751 ( -6.800 -2.209 4.974) 8.710 10.834 ( 0.682 1.923 -3.993) 4.484 10.896 ( 1.771 -1.018 -1.749) 2.689 11.155 ( 2.618 -0.531 3.760) 4.612 11.303 ( 3.133 1.833 -5.124) 6.279 12.759 ( -1.024 -0.043 5.837) 5.926 12.902 ( -0.101 -1.167 -1.397) 1.823 12.970 ( 2.309 6.242 -1.235) 6.769 13.155 ( 4.880 2.088 -5.598) 7.714 13.860 ( -3.919 -1.053 -0.300) 4.069 13.911 ( 0.739 -0.514 -0.507) 1.033 14.226 ( -2.363 1.582 0.614) 2.909 14.268 ( 0.009 2.942 -0.405) 2.969 15.915 ( 3.579 -0.535 1.299) 3.845 15.959 ( 3.306 -0.494 -2.010) 3.901 16.675 ( -0.692 0.719 1.230) 1.583 16.730 ( 0.565 0.418 -0.505) 0.866 16.921 ( 1.086 0.616 0.750) 1.457 17.055 ( 0.811 -0.202 -6.181) 6.237 17.199 ( -2.548 0.393 3.449) 4.306 17.306 ( -0.115 -2.982 0.641) 3.052 17.793 ( -3.708 -3.733 0.043) 5.261 17.806 ( -2.964 -2.122 0.077) 3.646 18.481 ( -0.296 1.676 -0.030) 1.702 18.504 ( 0.842 2.161 -0.413) 2.356 18.690 ( -1.102 0.781 1.111) 1.749 18.732 ( -1.383 0.588 -0.932) 1.768 19.291 ( 1.062 0.100 -0.094) 1.071 19.305 ( 1.114 0.098 -0.908) 1.440 20.069 ( -2.090 -0.402 1.196) 2.441 20.198 ( 3.221 -1.662 -1.779) 4.038 20.299 ( -0.475 0.043 2.275) 2.324 20.354 ( 0.858 1.329 -0.595) 1.690 22.658 ( 1.555 -9.101 23.740) 25.473 23.072 ( -10.997 -10.982 -9.446) 18.187 24.591 ( -0.992 6.029 2.699) 6.679 25.003 ( 9.241 -2.600 -13.372) 16.461 25.815 ( -4.990 -0.980 8.974) 10.315 25.965 ( 1.494 10.240 1.545) 10.463 26.181 ( -5.503 -4.970 -3.819) 8.341 26.222 ( -2.602 3.610 -2.981) 5.356 26.704 ( 3.260 9.005 1.730) 9.732 26.723 ( 2.575 -2.218 1.468) 3.702 31.837 ( 4.047 -0.967 2.246) 4.728 31.936 ( -1.268 -1.510 -5.496) 5.839 32.467 ( -4.517 -8.142 14.139) 16.930 32.821 ( -2.264 -8.988 -4.233) 10.189 ======================= Grid point 75 (33/75) ======================= q-point: (-0.29 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -19.199 14.163 -16.607) 29.068 1.610 ( -26.678 22.088 4.319) 34.903 1.937 ( 2.168 -1.088 -11.430) 11.685 2.026 ( 1.388 8.294 6.775) 10.799 2.231 ( 4.130 6.684 11.861) 14.227 2.566 ( -17.757 8.634 6.555) 20.804 2.818 ( 2.305 2.362 3.222) 4.613 2.908 ( -2.563 -1.409 5.319) 6.070 3.040 ( -7.173 1.495 0.100) 7.328 3.297 ( 0.716 4.517 -4.058) 6.114 3.492 ( 2.648 2.872 -6.565) 7.640 3.533 ( 3.862 -1.228 6.923) 8.022 3.730 ( 9.473 -0.137 4.068) 10.310 3.847 ( -6.935 -4.076 -5.187) 9.571 3.979 ( 3.896 5.124 4.287) 7.733 4.073 ( 0.484 4.282 -3.490) 5.546 4.271 ( 0.561 -4.801 -0.644) 4.876 4.326 ( 1.563 -4.810 1.100) 5.176 4.409 ( -2.305 0.258 3.219) 3.968 4.486 ( 0.140 1.371 0.673) 1.534 4.508 ( 1.475 3.177 -2.309) 4.195 4.683 ( 3.657 -3.748 3.866) 6.509 4.845 ( -0.857 2.284 2.426) 3.441 4.926 ( -2.976 0.712 -1.484) 3.401 5.031 ( -0.604 -4.251 -1.695) 4.616 5.280 ( -2.101 -5.053 -3.278) 6.379 5.384 ( 1.642 1.042 1.042) 2.206 5.451 ( -2.353 1.636 -7.112) 7.668 5.534 ( -1.486 -0.086 -3.482) 3.787 5.576 ( -0.541 -0.953 2.607) 2.828 5.663 ( -4.991 -4.550 1.212) 6.862 5.793 ( 1.369 -1.221 -2.566) 3.154 6.024 ( -5.259 -2.301 3.219) 6.581 6.074 ( -8.271 -3.385 -4.718) 10.106 6.185 ( -0.154 -2.231 -10.396) 10.634 6.240 ( -2.544 0.326 5.331) 5.916 6.301 ( -1.754 -7.468 4.487) 8.887 6.367 ( 3.701 -0.614 -5.252) 6.454 6.455 ( 3.193 0.129 1.595) 3.571 6.567 ( 5.661 -2.013 5.452) 8.113 6.677 ( -5.052 -1.302 -0.955) 5.304 6.692 ( 2.536 4.952 -2.042) 5.926 6.731 ( 0.085 4.043 5.613) 6.918 6.887 ( -0.977 -0.126 -3.635) 3.766 6.929 ( 0.794 1.648 -1.465) 2.343 7.103 ( -5.174 1.422 5.676) 7.811 7.220 ( -0.229 1.995 -0.209) 2.019 7.363 ( 3.191 -1.034 2.086) 3.950 7.375 ( 4.007 4.091 0.085) 5.727 7.542 ( -0.639 -2.500 1.242) 2.864 7.618 ( -2.006 4.298 -1.696) 5.037 7.737 ( 0.828 -2.576 1.817) 3.260 7.847 ( 1.183 0.359 -1.167) 1.700 7.929 ( 2.530 -4.397 -1.037) 5.177 8.077 ( -0.680 -3.389 -2.865) 4.489 8.200 ( -2.749 -4.378 2.549) 5.764 8.233 ( 0.253 1.142 -3.048) 3.264 8.337 ( 4.556 -2.756 -2.235) 5.774 8.421 ( -1.151 -9.248 2.414) 9.627 8.527 ( 3.263 0.814 -1.880) 3.853 8.610 ( 2.882 7.330 6.244) 10.051 8.693 ( 6.773 4.103 -2.379) 8.268 8.907 ( -4.362 -3.483 -2.504) 6.118 9.051 ( 6.871 -3.426 7.875) 10.999 9.175 ( 4.148 -0.497 -8.106) 9.119 9.345 ( -0.389 3.607 3.330) 4.925 10.011 ( -0.964 -2.949 0.720) 3.185 10.127 ( 5.145 -1.395 -1.522) 5.544 10.241 ( 1.920 -0.264 2.232) 2.957 10.354 ( -4.738 -2.243 6.104) 8.046 10.414 ( -6.707 -4.832 -2.632) 8.675 10.489 ( -1.528 -5.664 -10.610) 12.124 10.640 ( -4.466 2.488 -1.298) 5.275 10.660 ( -0.698 0.663 2.088) 2.299 10.853 ( 4.188 6.070 -4.438) 8.607 10.965 ( 1.527 -1.387 6.546) 6.863 11.221 ( -0.547 -0.148 4.518) 4.554 11.327 ( 5.462 2.806 -6.882) 9.223 12.834 ( 2.340 -0.409 2.051) 3.139 12.919 ( 5.662 0.681 -0.962) 5.784 13.026 ( 4.450 6.101 -0.402) 7.562 13.210 ( 6.233 -0.155 -3.977) 7.396 13.768 ( -4.981 -1.487 -0.483) 5.221 13.887 ( -3.265 1.853 0.228) 3.761 14.167 ( -4.665 1.521 1.113) 5.031 14.255 ( -0.788 2.665 -0.806) 2.894 16.017 ( 7.585 -1.838 -0.522) 7.821 16.072 ( 8.564 0.380 0.132) 8.573 16.673 ( -0.827 0.628 1.170) 1.564 16.734 ( 0.669 0.509 -0.834) 1.184 16.960 ( 2.029 -0.045 0.619) 2.122 17.009 ( 0.552 0.488 -4.924) 4.979 17.172 ( -3.834 0.400 3.225) 5.025 17.308 ( 0.180 -1.724 0.145) 1.740 17.644 ( -10.308 -5.337 -1.967) 11.773 17.720 ( -7.751 -1.548 1.337) 8.016 18.479 ( -0.026 1.489 0.175) 1.500 18.521 ( 1.453 2.341 -0.395) 2.784 18.665 ( -2.555 0.481 0.788) 2.717 18.681 ( -2.863 0.799 -0.775) 3.072 19.321 ( 2.130 -0.081 -0.341) 2.159 19.330 ( 2.277 0.274 -0.408) 2.329 20.045 ( -1.413 -0.040 0.645) 1.554 20.231 ( 1.951 -2.481 -1.649) 3.562 20.325 ( 0.626 0.218 2.633) 2.716 20.375 ( 2.146 1.285 -0.821) 2.633 22.676 ( -13.748 -10.870 -4.215) 18.026 23.005 ( -2.007 -20.349 26.405) 33.396 24.599 ( 0.059 4.541 1.428) 4.760 25.026 ( 8.828 -2.247 -16.746) 19.063 25.782 ( -8.055 -3.674 9.167) 12.744 25.908 ( -7.771 -1.280 -2.964) 8.415 26.119 ( 3.085 7.603 0.486) 8.219 26.187 ( -2.481 4.375 2.435) 5.588 26.590 ( -7.057 -0.279 -3.023) 7.682 26.976 ( 16.303 12.827 0.620) 20.753 31.862 ( 0.146 -1.008 -5.750) 5.840 31.940 ( 3.946 -0.633 2.374) 4.648 32.489 ( -9.513 -16.926 14.055) 23.969 32.763 ( -0.433 -6.153 -0.286) 6.175 ======================= Grid point 76 (34/75) ======================= q-point: (-0.14 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -2.995 25.873 4.605) 26.450 1.204 ( -24.577 25.264 11.038) 36.934 1.778 ( -11.259 10.181 4.793) 15.918 2.067 ( -0.757 19.730 4.802) 20.320 2.149 ( -14.867 1.252 -1.423) 14.987 2.537 ( 7.772 0.672 1.091) 7.877 2.824 ( -4.867 -4.157 5.471) 8.420 2.942 ( 1.702 -2.406 -3.083) 4.265 3.024 ( -3.654 -6.068 5.044) 8.695 3.241 ( -3.512 -2.949 -1.840) 4.941 3.530 ( 4.627 -0.696 -3.294) 5.722 3.623 ( -3.771 4.859 5.493) 8.247 3.719 ( -1.020 -0.191 -3.988) 4.120 3.852 ( -0.269 0.059 10.484) 10.488 3.941 ( -1.050 0.577 -2.121) 2.436 4.154 ( -0.940 -1.524 -4.996) 5.307 4.263 ( 11.317 2.133 -7.769) 13.892 4.355 ( 1.271 -6.595 1.492) 6.880 4.430 ( -3.007 2.097 -3.010) 4.744 4.517 ( 4.303 1.419 0.479) 4.556 4.587 ( 7.080 0.527 6.293) 9.487 4.697 ( -2.221 3.569 -7.248) 8.379 4.811 ( -4.567 0.391 2.082) 5.035 4.951 ( 3.050 -5.050 -1.644) 6.125 4.980 ( -3.215 -1.305 9.465) 10.081 5.189 ( -1.217 -1.421 -3.363) 3.848 5.380 ( -3.606 -2.310 -4.305) 6.072 5.400 ( -2.837 0.819 -2.702) 4.002 5.436 ( 2.303 -0.026 -0.004) 2.303 5.554 ( -5.690 -4.110 0.502) 7.037 5.687 ( 9.529 2.194 1.329) 9.868 5.796 ( -2.108 -2.489 -7.350) 8.041 5.887 ( -3.230 -1.363 -1.052) 3.660 5.955 ( -12.559 0.405 -4.444) 13.328 6.001 ( 1.456 3.199 -1.342) 3.762 6.164 ( -3.565 -0.399 -2.077) 4.145 6.292 ( -12.733 -2.101 -2.268) 13.103 6.366 ( -1.356 -3.069 0.235) 3.364 6.466 ( -7.719 -1.006 4.012) 8.757 6.565 ( 4.626 -4.397 -1.271) 6.507 6.705 ( 3.109 3.782 -0.277) 4.904 6.732 ( 4.446 3.316 -4.855) 7.371 6.838 ( 9.033 -3.701 1.006) 9.814 6.850 ( -2.982 -0.210 -2.377) 3.819 7.040 ( 4.974 3.673 7.146) 9.450 7.123 ( 1.998 5.001 3.893) 6.645 7.181 ( -0.368 1.688 -2.427) 2.979 7.339 ( -5.288 2.337 -8.311) 10.124 7.441 ( -0.138 -3.775 5.279) 6.492 7.490 ( -1.661 -2.204 1.408) 3.098 7.606 ( 0.345 1.489 -6.072) 6.261 7.790 ( 2.994 -3.368 6.309) 7.753 7.829 ( -1.941 -4.549 -0.704) 4.995 7.954 ( -2.930 -3.503 1.571) 4.829 7.984 ( -11.281 3.339 11.107) 16.179 8.073 ( 1.507 -0.871 -0.311) 1.768 8.367 ( 4.078 -7.011 1.757) 8.300 8.400 ( 7.598 2.304 -3.231) 8.571 8.455 ( 4.176 -6.776 -1.765) 8.153 8.563 ( 1.443 -1.104 -0.246) 1.833 8.634 ( 0.136 3.526 -0.134) 3.531 8.815 ( -3.686 -4.085 3.782) 6.677 8.936 ( 13.933 4.548 -3.288) 15.021 9.194 ( 6.274 -0.379 -8.309) 10.418 9.241 ( 3.590 -4.793 3.127) 6.755 9.513 ( 9.104 2.353 18.415) 20.677 9.990 ( -2.791 -6.722 -0.051) 7.279 10.124 ( -4.644 3.077 -7.543) 9.377 10.232 ( -4.169 -7.849 -0.390) 8.896 10.310 ( 5.555 5.858 -7.426) 10.969 10.344 ( 2.190 -0.104 2.760) 3.525 10.397 ( 1.454 -1.000 0.144) 1.771 10.554 ( -2.599 3.714 -2.014) 4.960 10.686 ( -0.521 -0.232 3.412) 3.460 10.899 ( 6.657 8.249 -6.024) 12.192 11.015 ( -5.879 -3.291 8.482) 10.832 11.226 ( -2.651 2.430 4.278) 5.589 11.362 ( 5.074 2.226 -5.023) 7.478 12.869 ( 2.358 -0.505 -0.682) 2.506 13.073 ( 8.455 1.499 -0.442) 8.599 13.091 ( 1.592 0.247 0.314) 1.641 13.291 ( 6.023 -1.628 -3.435) 7.122 13.715 ( 1.160 2.277 -0.503) 2.604 13.805 ( -5.902 3.574 0.809) 6.947 14.096 ( -4.462 1.224 2.449) 5.235 14.227 ( -0.789 2.299 -1.514) 2.863 16.169 ( 8.483 -2.104 -0.253) 8.744 16.221 ( 6.502 0.236 0.227) 6.510 16.668 ( -0.825 0.615 0.996) 1.432 16.740 ( 0.995 0.701 -1.126) 1.659 16.966 ( 0.823 -0.203 -1.581) 1.794 17.027 ( 2.737 -0.182 0.423) 2.775 17.132 ( -3.186 0.937 2.586) 4.209 17.324 ( 1.583 -0.466 -0.559) 1.742 17.409 ( -11.829 -5.196 -2.120) 13.093 17.564 ( -10.321 -0.465 1.572) 10.451 18.484 ( 0.161 1.188 0.651) 1.364 18.548 ( 2.304 2.290 -1.139) 3.443 18.622 ( -2.329 0.255 0.259) 2.357 18.627 ( -2.055 0.988 -0.503) 2.335 19.354 ( 1.556 0.037 0.030) 1.557 19.371 ( 2.321 0.041 -0.305) 2.341 20.037 ( 0.001 0.573 0.751) 0.945 20.227 ( -0.863 -3.748 -1.996) 4.333 20.367 ( 0.783 0.814 2.555) 2.794 20.409 ( 2.293 1.425 -0.908) 2.849 22.411 ( -8.539 -7.889 -3.667) 12.190 23.036 ( -31.284 -46.642 21.450) 60.119 24.624 ( 2.458 0.729 -1.919) 3.203 24.966 ( 5.490 2.260 -21.298) 22.110 25.676 ( -10.972 -6.142 7.308) 14.544 25.799 ( -1.003 2.904 -0.500) 3.113 26.106 ( -1.027 7.152 -2.527) 7.654 26.294 ( 3.022 8.828 11.238) 14.607 26.433 ( -7.036 -1.492 3.552) 8.021 27.296 ( 22.157 17.305 -11.228) 30.273 31.838 ( 2.843 -0.462 -4.085) 4.999 32.013 ( 1.065 -1.134 1.199) 1.964 32.373 ( -16.315 -21.984 9.798) 29.076 32.745 ( -4.243 -10.077 -1.862) 11.091 ======================= Grid point 77 (35/75) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -7.631 17.515 12.222) 22.680 1.458 ( -1.107 20.918 12.134) 24.208 1.888 ( 6.457 0.579 -9.461) 11.469 2.013 ( 3.556 4.515 -11.297) 12.675 2.591 ( -6.416 0.851 -7.706) 10.064 2.653 ( 0.135 10.784 -0.833) 10.817 2.767 ( -0.590 -1.324 5.926) 6.101 2.926 ( 9.387 -8.109 -8.443) 15.005 2.978 ( 3.203 23.006 6.140) 24.025 3.248 ( -6.055 14.439 19.353) 24.894 3.371 ( -4.602 -3.081 -2.210) 5.962 3.579 ( -4.661 -3.870 6.590) 8.952 3.839 ( -2.287 -2.925 2.338) 4.387 3.936 ( -0.943 2.478 4.319) 5.067 3.960 ( -1.872 9.851 2.846) 10.424 4.175 ( 0.695 0.904 -7.753) 7.837 4.255 ( -1.302 0.649 0.412) 1.512 4.361 ( 8.625 0.063 -6.337) 10.703 4.403 ( -0.145 -0.357 1.408) 1.459 4.540 ( 2.207 0.389 -2.904) 3.668 4.635 ( -2.861 4.673 -2.752) 6.131 4.759 ( -3.482 -2.304 1.244) 4.356 4.790 ( 0.054 -6.707 9.697) 11.791 4.938 ( 2.392 5.713 0.298) 6.201 5.020 ( 4.577 -0.403 -0.734) 4.653 5.095 ( 0.092 -2.402 -2.562) 3.513 5.324 ( -2.612 -0.269 0.040) 2.626 5.403 ( 4.224 -1.905 -0.626) 4.676 5.438 ( 0.433 5.671 -3.832) 6.858 5.517 ( -2.249 -2.759 -9.126) 9.796 5.639 ( -11.342 -0.843 -2.264) 11.596 5.747 ( 1.552 -1.683 3.776) 4.416 5.836 ( 5.760 -0.136 -9.898) 11.453 5.911 ( 2.750 2.722 1.626) 4.197 5.949 ( -5.084 -0.551 -3.754) 6.343 6.103 ( 5.564 -0.847 2.336) 6.094 6.231 ( -0.310 1.848 2.851) 3.412 6.354 ( -0.133 -0.476 2.913) 2.954 6.402 ( -1.047 0.408 0.803) 1.381 6.483 ( 0.549 -2.955 -2.388) 3.839 6.622 ( -0.849 -4.684 -4.021) 6.231 6.709 ( 1.272 -2.179 -10.395) 10.697 6.834 ( -1.772 2.971 5.725) 6.689 6.889 ( -1.788 1.080 -3.302) 3.907 7.111 ( -0.521 -1.626 1.089) 2.025 7.173 ( -2.479 -0.145 -1.235) 2.774 7.259 ( -0.989 -1.658 -2.080) 2.838 7.330 ( 3.001 1.583 1.185) 3.594 7.382 ( -1.929 -0.161 2.385) 3.072 7.523 ( -0.869 1.420 -0.473) 1.731 7.572 ( 4.934 -1.117 2.656) 5.714 7.668 ( 3.540 -5.016 -3.663) 7.149 7.804 ( -4.839 -1.320 8.503) 9.872 7.948 ( 0.171 -2.641 5.259) 5.888 7.994 ( -2.212 -3.434 11.016) 11.749 8.069 ( 4.735 -0.428 -5.552) 7.309 8.271 ( -0.335 -7.906 3.108) 8.502 8.386 ( 0.700 -2.611 -4.113) 4.922 8.515 ( 3.522 -3.372 6.919) 8.464 8.575 ( -3.983 2.880 -5.785) 7.592 8.626 ( -0.676 0.281 -0.735) 1.037 8.900 ( 2.537 4.429 3.749) 6.333 8.972 ( 0.193 -3.288 -7.007) 7.743 9.144 ( -2.010 -2.508 -3.270) 4.586 9.292 ( 6.380 -2.906 3.750) 7.950 9.430 ( -7.595 -9.116 1.826) 12.005 9.818 ( 1.632 -5.817 4.582) 7.583 9.967 ( -4.105 -8.586 4.615) 10.577 10.153 ( 2.119 0.746 -6.086) 6.487 10.261 ( 1.466 -2.908 -6.203) 7.006 10.405 ( -0.386 0.883 1.896) 2.127 10.536 ( -0.510 0.364 0.395) 0.741 10.635 ( -2.537 -4.735 0.555) 5.400 10.677 ( 1.147 -3.464 7.521) 8.359 10.829 ( 4.359 1.208 -3.032) 5.446 11.111 ( 0.889 3.870 -4.535) 6.028 11.259 ( -3.634 0.791 2.707) 4.600 11.448 ( 3.911 1.310 -2.369) 4.756 12.905 ( -1.211 0.521 -1.876) 2.293 12.970 ( 3.453 -3.582 -2.018) 5.369 13.179 ( -0.624 0.341 1.359) 1.533 13.295 ( 1.077 -2.096 -2.838) 3.688 13.803 ( -1.939 3.498 1.598) 4.306 13.854 ( 0.496 4.860 -0.802) 4.951 14.096 ( -0.930 1.152 3.061) 3.400 14.256 ( 1.134 1.884 -2.476) 3.311 16.230 ( -0.113 -1.120 0.460) 1.216 16.265 ( 0.216 -1.930 -0.118) 1.945 16.687 ( -0.504 1.351 1.195) 1.872 16.749 ( 0.055 0.176 -1.081) 1.096 16.999 ( 3.488 -0.104 0.122) 3.492 17.026 ( 0.063 -1.550 -0.122) 1.556 17.138 ( -4.296 0.901 -0.256) 4.397 17.209 ( 2.695 0.528 -1.653) 3.206 17.382 ( -5.946 -0.269 2.462) 6.441 17.443 ( 5.021 -0.947 1.489) 5.322 18.525 ( 0.005 1.523 0.975) 1.808 18.570 ( 0.133 -0.050 -0.647) 0.663 18.605 ( -0.090 0.368 0.058) 0.383 18.636 ( 0.613 0.874 -1.433) 1.787 19.368 ( -0.547 0.089 0.425) 0.698 19.395 ( 0.438 -0.020 -0.026) 0.439 20.073 ( 1.430 -0.419 0.487) 1.567 20.096 ( -3.157 -1.978 0.291) 3.737 20.432 ( -1.599 3.074 1.446) 3.754 20.474 ( 1.018 2.092 -0.273) 2.343 21.984 ( -14.930 -3.939 11.188) 19.068 22.385 ( 6.479 -8.404 -4.544) 11.543 24.644 ( 1.248 0.140 0.271) 1.285 24.900 ( 3.325 -2.236 -11.056) 11.760 25.579 ( -2.758 -2.077 5.472) 6.470 25.816 ( 1.549 -3.047 -1.023) 3.568 26.243 ( 0.108 8.267 -0.900) 8.317 26.299 ( -1.419 3.484 -1.615) 4.094 26.750 ( 0.536 11.809 15.641) 19.606 27.490 ( 0.075 -0.035 -14.540) 14.540 31.820 ( -7.353 -1.557 0.796) 7.558 31.881 ( 4.467 -0.341 -1.808) 4.831 32.122 ( -1.588 -3.874 8.845) 9.786 32.488 ( 0.702 -8.457 -5.732) 10.241 ======================= Grid point 78 (36/75) ======================= q-point: ( 0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 8.315 14.683 4.469) 17.456 1.664 ( 7.246 17.989 11.432) 22.513 1.807 ( -2.733 5.269 -13.387) 14.644 2.133 ( 13.879 2.879 -4.069) 14.747 2.342 ( -9.065 -1.706 -2.482) 9.552 2.680 ( 5.206 10.006 -1.916) 11.441 2.836 ( 2.335 3.552 3.814) 5.710 3.003 ( 5.372 -8.869 -6.434) 12.203 3.164 ( 4.019 5.902 5.463) 8.991 3.320 ( 5.658 10.921 1.836) 12.436 3.406 ( -0.902 19.322 14.969) 24.459 3.659 ( 2.617 -7.108 6.176) 9.773 3.772 ( -0.784 -4.646 0.354) 4.725 3.875 ( -6.302 12.483 -1.029) 14.021 4.004 ( -4.440 -1.698 1.628) 5.024 4.145 ( 7.626 -0.660 1.764) 7.855 4.217 ( -0.567 4.622 -0.138) 4.658 4.389 ( -2.718 4.175 -4.004) 6.392 4.447 ( 7.076 2.086 -3.470) 8.152 4.521 ( -8.333 0.774 -2.805) 8.826 4.552 ( -1.068 2.759 -3.219) 4.372 4.686 ( -3.979 0.428 4.527) 6.043 4.767 ( -3.569 -6.093 2.354) 7.443 5.010 ( -1.391 0.079 -9.057) 9.164 5.048 ( 1.293 2.225 7.889) 8.298 5.152 ( -1.635 1.827 2.974) 3.854 5.308 ( 4.252 -4.102 -5.288) 7.929 5.357 ( 5.547 -3.571 1.012) 6.674 5.402 ( 2.463 -1.027 -4.696) 5.402 5.451 ( -7.468 -5.042 -1.121) 9.080 5.595 ( 0.401 -1.813 -1.175) 2.198 5.651 ( 3.630 -0.371 -4.593) 5.866 5.840 ( 0.647 1.651 -3.027) 3.509 5.985 ( 2.383 2.311 1.945) 3.847 6.081 ( 10.765 -3.375 3.135) 11.709 6.170 ( 3.740 4.388 -9.713) 11.295 6.281 ( -4.035 1.361 1.662) 4.571 6.328 ( 1.854 -2.736 6.900) 7.650 6.441 ( -2.633 -2.320 2.465) 4.289 6.474 ( 5.059 0.180 0.095) 5.063 6.603 ( 1.682 -3.944 -3.154) 5.323 6.662 ( 4.037 1.808 -8.118) 9.245 6.766 ( -6.545 -0.486 0.660) 6.596 6.848 ( -2.047 -3.230 1.708) 4.188 7.072 ( -4.247 1.514 -2.142) 4.992 7.156 ( -5.272 -1.860 0.935) 5.668 7.212 ( 4.330 0.407 4.493) 6.253 7.338 ( -1.241 -0.897 -1.767) 2.338 7.468 ( 1.356 1.199 1.986) 2.687 7.495 ( 4.191 -0.503 -2.557) 4.935 7.631 ( 1.358 1.007 -2.458) 2.984 7.694 ( 3.141 -1.744 -4.322) 5.620 7.863 ( 2.775 0.837 6.127) 6.778 7.986 ( -2.611 -2.910 10.413) 11.123 8.071 ( 2.307 -5.804 -3.854) 7.339 8.132 ( 1.280 -3.591 8.388) 9.214 8.274 ( -1.082 -7.684 2.260) 8.082 8.339 ( -0.595 -1.512 -4.943) 5.203 8.423 ( -6.667 1.788 -3.250) 7.630 8.524 ( -8.416 -0.793 -0.482) 8.467 8.659 ( 2.963 -4.228 4.038) 6.555 8.809 ( -5.358 1.460 -7.428) 9.275 8.950 ( -9.418 3.018 5.429) 11.281 9.041 ( -0.839 -0.762 -4.214) 4.364 9.304 ( 0.816 -7.805 -4.060) 8.835 9.452 ( 0.202 -2.744 7.820) 8.290 9.901 ( 2.452 -3.635 3.519) 5.622 9.946 ( -1.822 -7.865 2.298) 8.394 10.134 ( 3.289 -0.749 -7.210) 7.960 10.240 ( -0.454 -2.429 -1.600) 2.943 10.429 ( 0.490 -0.453 3.158) 3.228 10.443 ( -11.499 -4.301 -0.613) 12.293 10.588 ( 3.632 1.009 1.112) 3.930 10.755 ( 1.993 -0.214 -1.055) 2.265 10.892 ( 1.899 0.358 -1.352) 2.358 11.059 ( -2.770 -0.803 0.449) 2.919 11.202 ( -4.738 0.145 1.804) 5.073 11.492 ( 1.864 0.080 -2.342) 2.994 12.885 ( 2.907 1.051 -2.989) 4.300 13.069 ( 3.970 -0.845 -0.405) 4.079 13.097 ( -8.567 -0.435 1.781) 8.761 13.215 ( -3.535 -4.016 -3.290) 6.281 13.785 ( -1.397 6.471 -0.101) 6.620 13.875 ( 2.264 2.570 1.299) 3.663 14.144 ( 2.624 1.279 2.586) 3.900 14.269 ( 2.689 1.626 -2.355) 3.927 16.123 ( -8.896 -0.641 -0.101) 8.919 16.232 ( -5.258 -1.847 0.267) 5.579 16.692 ( -0.523 1.572 1.603) 2.305 16.735 ( -0.121 0.322 -1.363) 1.405 17.020 ( -0.740 -0.834 -3.239) 3.426 17.071 ( 3.251 -1.866 1.651) 4.095 17.087 ( -0.546 -0.460 1.635) 1.785 17.215 ( -1.545 0.527 -0.858) 1.844 17.403 ( 7.267 -1.250 0.626) 7.400 17.583 ( 7.574 -0.996 0.902) 7.692 18.530 ( -0.415 1.336 0.814) 1.619 18.566 ( 0.103 1.115 -0.853) 1.408 18.626 ( 2.085 0.602 0.092) 2.172 18.653 ( 2.721 0.536 -0.891) 2.913 19.346 ( -2.013 0.084 0.238) 2.028 19.385 ( -1.432 0.181 -0.071) 1.445 20.054 ( -1.077 -0.922 0.385) 1.469 20.102 ( 0.782 -0.714 0.402) 1.132 20.392 ( -3.277 2.873 1.124) 4.501 20.466 ( -1.749 1.964 -0.179) 2.636 21.969 ( 2.806 0.593 6.690) 7.278 22.596 ( 15.640 -13.037 1.048) 20.388 24.669 ( 0.970 1.179 -0.156) 1.534 24.849 ( 2.941 -2.279 -9.434) 10.142 25.594 ( -0.931 -2.148 5.199) 5.702 25.893 ( 7.685 -4.425 -1.363) 8.972 26.196 ( -2.627 6.526 -0.473) 7.051 26.358 ( 6.554 5.805 -0.445) 8.767 26.867 ( -4.784 9.308 14.751) 18.087 27.226 ( -11.485 4.114 -13.651) 18.308 31.735 ( -1.928 0.337 -1.038) 2.216 31.962 ( 3.758 -1.374 0.933) 4.109 32.161 ( -2.319 -4.812 7.307) 9.051 32.490 ( 4.964 -9.252 -4.349) 11.365 ======================= Grid point 79 (37/75) ======================= q-point: ( 0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -6.099 11.073 -15.875) 20.294 1.665 ( 16.950 9.173 -0.672) 19.284 1.906 ( 7.444 8.946 7.774) 13.996 2.297 ( 1.711 -1.839 4.034) 4.752 2.358 ( 10.327 4.820 1.445) 11.488 2.778 ( 5.396 3.138 -4.078) 7.456 2.906 ( 1.546 4.132 2.274) 4.963 3.059 ( 8.876 -1.779 -2.842) 9.488 3.203 ( -1.295 6.023 -2.180) 6.535 3.418 ( -5.670 15.971 9.319) 19.341 3.451 ( 0.581 11.821 0.198) 11.837 3.695 ( -3.046 -0.568 3.021) 4.328 3.760 ( -2.999 1.827 3.773) 5.154 3.877 ( 0.166 -2.259 8.090) 8.401 3.936 ( 2.061 2.360 -8.154) 8.735 4.167 ( -5.483 3.173 -2.088) 6.670 4.264 ( -6.639 3.758 -4.564) 8.890 4.325 ( -0.546 0.219 -5.197) 5.230 4.354 ( 4.046 2.924 2.809) 5.728 4.540 ( 0.407 1.012 1.757) 2.068 4.573 ( 9.412 2.395 9.547) 13.619 4.676 ( -1.882 1.675 4.899) 5.509 4.800 ( -0.617 -7.851 2.614) 8.298 4.895 ( -2.588 6.712 -7.647) 10.499 5.007 ( 1.898 -1.447 -5.627) 6.112 5.222 ( 1.411 -0.069 5.630) 5.805 5.244 ( -5.420 -2.219 -4.444) 7.352 5.312 ( 0.045 -3.811 -3.240) 5.002 5.461 ( 7.384 -3.442 -4.323) 9.222 5.559 ( 4.580 -4.071 -6.722) 9.096 5.572 ( 2.011 -4.797 8.995) 10.390 5.735 ( 8.057 -2.860 -1.109) 8.621 5.890 ( 0.253 -0.770 3.482) 3.575 5.991 ( -1.259 3.334 0.470) 3.595 6.125 ( 3.013 4.241 -7.214) 8.894 6.176 ( -4.574 3.286 -3.296) 6.526 6.277 ( 1.247 -8.350 8.496) 11.977 6.376 ( -7.561 0.369 3.698) 8.425 6.429 ( 1.528 0.340 2.326) 2.804 6.564 ( 3.556 -4.754 -0.858) 5.998 6.578 ( -0.142 -5.620 -4.109) 6.963 6.664 ( 0.174 0.209 -2.794) 2.807 6.724 ( 3.416 -0.312 2.431) 4.204 6.868 ( 1.927 -0.369 0.952) 2.181 6.974 ( -1.289 -0.498 -1.438) 1.994 7.115 ( -1.252 -0.471 0.991) 1.665 7.342 ( 1.723 1.041 1.162) 2.324 7.358 ( 2.191 1.256 4.586) 5.235 7.426 ( 0.550 -2.715 1.860) 3.336 7.542 ( 0.023 -1.761 -4.252) 4.602 7.629 ( 1.513 0.622 -2.720) 3.174 7.719 ( 3.980 3.799 -4.146) 6.889 7.967 ( 2.539 -0.438 1.365) 2.916 7.995 ( -4.743 -2.151 3.979) 6.555 8.060 ( 0.045 -4.997 -2.454) 5.567 8.152 ( -5.005 -4.555 0.677) 6.801 8.241 ( -6.206 0.182 -6.925) 9.301 8.297 ( -1.390 -3.074 0.637) 3.433 8.321 ( 1.826 -2.862 -0.035) 3.396 8.416 ( 0.676 4.695 4.909) 6.826 8.613 ( -8.288 2.268 -3.905) 9.438 8.728 ( -0.195 -1.286 0.330) 1.342 8.777 ( -9.985 -0.053 6.016) 11.657 9.064 ( 5.253 -1.481 -3.371) 6.415 9.297 ( 2.248 -7.379 -5.858) 9.686 9.471 ( -8.087 -2.755 9.185) 12.544 9.926 ( 0.071 -6.320 -1.870) 6.591 9.972 ( 2.414 -1.665 0.437) 2.965 10.091 ( -2.324 -0.339 -4.480) 5.058 10.218 ( -2.936 -4.357 4.218) 6.738 10.303 ( -0.674 -1.718 0.316) 1.872 10.496 ( 3.236 -4.878 1.633) 6.078 10.673 ( 4.852 1.887 -1.816) 5.514 10.770 ( 1.688 3.173 -1.067) 3.749 10.871 ( -0.363 -0.642 -3.060) 3.148 11.000 ( -6.304 -6.282 2.209) 9.170 11.145 ( -3.624 3.270 2.861) 5.658 11.454 ( -2.965 0.914 -2.389) 3.915 12.888 ( -8.350 1.586 4.834) 9.778 12.983 ( 0.439 0.388 -3.197) 3.250 12.994 ( -3.936 -1.315 -2.571) 4.882 13.231 ( 3.983 -0.410 -2.927) 4.960 13.783 ( 1.928 4.135 0.150) 4.565 13.927 ( 1.154 1.813 1.110) 2.419 14.219 ( 2.778 1.321 1.678) 3.504 14.298 ( 2.442 1.951 -1.579) 3.502 15.966 ( -7.214 -0.146 -0.137) 7.217 16.101 ( -8.135 -1.278 -0.117) 8.235 16.698 ( -0.559 1.710 1.468) 2.322 16.726 ( 0.417 0.348 -0.806) 0.972 16.964 ( -1.602 0.642 -2.115) 2.730 17.095 ( 0.558 -1.532 -1.501) 2.216 17.145 ( 2.638 -2.708 2.053) 4.302 17.200 ( -0.704 0.402 2.131) 2.280 17.565 ( 9.576 -2.810 -1.300) 10.064 17.712 ( 5.503 -2.248 0.276) 5.951 18.530 ( -0.149 1.692 0.361) 1.737 18.557 ( -0.212 2.033 -0.684) 2.156 18.671 ( 2.352 1.022 0.289) 2.581 18.707 ( 3.466 0.362 -0.559) 3.529 19.310 ( -1.810 0.098 0.008) 1.813 19.349 ( -2.099 0.227 -0.278) 2.130 20.059 ( 0.623 -1.254 0.694) 1.562 20.111 ( 0.138 -1.239 -0.075) 1.249 20.349 ( -2.467 2.155 0.964) 3.415 20.423 ( -2.164 1.734 -0.489) 2.815 22.144 ( 7.951 -0.221 5.868) 9.884 22.857 ( 8.624 -18.262 2.463) 20.345 24.680 ( 1.839 4.199 -1.738) 4.903 24.845 ( 5.050 -3.678 -6.713) 9.170 25.649 ( 0.348 -2.962 6.535) 7.183 26.042 ( 10.360 -4.937 -2.883) 11.833 26.156 ( -1.717 6.598 0.282) 6.823 26.491 ( 7.233 6.753 1.213) 9.969 26.789 ( -13.988 7.529 -2.584) 16.095 26.945 ( -8.503 6.607 2.783) 11.122 31.717 ( 0.797 0.226 -0.932) 1.247 31.997 ( -0.885 -2.300 0.338) 2.487 32.210 ( 0.728 -6.044 5.884) 8.466 32.554 ( 4.502 -12.499 -1.964) 13.429 ======================= Grid point 80 (38/75) ======================= q-point: ( 0.43 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 6.623 11.399 -2.964) 13.512 1.933 ( 8.131 2.631 -2.929) 9.034 2.014 ( 0.917 7.778 1.227) 7.927 2.287 ( -7.217 -6.055 1.196) 9.496 2.579 ( 11.244 9.460 0.058) 14.695 2.798 ( 4.024 1.720 -3.927) 5.880 2.896 ( -7.538 1.939 2.139) 8.072 3.119 ( 0.803 16.194 -0.605) 16.225 3.183 ( 3.416 10.219 -7.010) 12.854 3.402 ( 1.241 9.833 2.146) 10.140 3.519 ( 0.719 8.637 8.774) 12.333 3.649 ( -4.297 3.661 0.893) 5.715 3.758 ( -5.213 -3.865 3.112) 7.197 3.807 ( -4.170 1.269 3.309) 5.473 3.886 ( -0.067 6.000 -7.604) 9.686 4.153 ( 0.572 -4.496 -1.415) 4.748 4.206 ( 4.364 1.346 2.592) 5.251 4.307 ( 1.950 -1.688 -1.360) 2.916 4.416 ( -2.172 -0.588 0.349) 2.277 4.469 ( -2.213 3.471 -0.015) 4.117 4.646 ( -6.179 5.089 0.462) 8.018 4.720 ( -4.015 2.663 -3.449) 5.925 4.782 ( -0.418 -9.364 -0.318) 9.379 4.960 ( 8.410 2.802 3.630) 9.579 5.046 ( 5.056 -2.336 -0.043) 5.570 5.128 ( 1.460 -2.619 1.263) 3.254 5.319 ( -2.560 1.476 1.455) 3.294 5.343 ( 4.404 -1.562 0.150) 4.675 5.527 ( 5.167 1.502 -5.593) 7.761 5.588 ( 3.655 -5.120 2.991) 6.966 5.683 ( 2.463 -8.794 3.925) 9.940 5.808 ( 0.656 -1.413 -4.166) 4.448 5.912 ( 1.477 0.724 0.594) 1.749 5.962 ( -4.217 -2.387 5.541) 7.361 6.055 ( -1.780 2.043 -0.024) 2.710 6.104 ( -3.333 -1.781 1.079) 3.930 6.297 ( -1.361 2.807 2.694) 4.121 6.367 ( -0.379 -3.919 -5.127) 6.464 6.430 ( -3.796 -5.248 1.834) 6.731 6.501 ( 2.191 0.273 0.333) 2.233 6.598 ( -2.020 -6.122 1.846) 6.706 6.672 ( 2.239 1.663 0.781) 2.896 6.853 ( 7.073 -1.519 0.160) 7.236 6.930 ( 2.084 -0.460 2.779) 3.504 6.963 ( -0.482 -2.481 -1.361) 2.870 7.144 ( 2.704 0.848 0.453) 2.870 7.309 ( -4.400 -0.129 0.897) 4.492 7.344 ( -3.765 2.257 1.846) 4.762 7.494 ( 2.404 -1.978 -1.927) 3.661 7.571 ( -3.757 3.181 -3.499) 6.040 7.633 ( 8.416 -4.969 2.955) 10.210 7.711 ( 0.370 7.243 -3.501) 8.054 7.872 ( -5.530 0.546 -4.702) 7.280 7.987 ( -4.438 -2.306 -13.024) 13.951 8.025 ( 0.867 -0.572 2.708) 2.900 8.042 ( -1.531 -5.328 1.791) 5.826 8.123 ( 0.359 -2.772 -1.273) 3.072 8.265 ( 0.509 -4.599 -3.510) 5.808 8.443 ( 1.737 1.560 0.054) 2.336 8.481 ( 1.360 2.257 0.655) 2.715 8.531 ( 1.937 4.912 7.285) 8.997 8.632 ( -6.135 2.957 4.721) 8.287 8.777 ( -0.187 -3.813 2.534) 4.582 9.133 ( 1.798 -4.466 -0.148) 4.816 9.240 ( -0.485 -4.921 -8.210) 9.584 9.350 ( -7.622 -1.265 0.769) 7.764 9.938 ( 2.620 -5.602 -1.076) 6.277 9.993 ( -0.503 -2.472 -1.092) 2.748 10.046 ( 0.231 0.771 3.516) 3.607 10.220 ( -2.885 -4.883 7.220) 9.181 10.361 ( 4.959 -3.973 -1.112) 6.451 10.538 ( -0.314 -7.664 -0.533) 7.689 10.712 ( 2.088 1.027 -1.773) 2.926 10.799 ( 1.897 5.038 -1.888) 5.704 10.842 ( -0.756 -2.157 -1.350) 2.655 10.898 ( -3.724 -3.756 -0.689) 5.334 11.130 ( -1.355 3.525 3.752) 5.324 11.370 ( -2.499 1.538 -2.353) 3.762 12.774 ( -7.442 -0.655 5.489) 9.271 12.874 ( -3.937 -3.114 0.159) 5.022 13.067 ( 7.336 5.163 -4.587) 10.075 13.232 ( 0.567 3.699 -4.339) 5.730 13.849 ( 4.123 1.075 0.468) 4.286 13.922 ( -2.695 0.846 0.673) 2.904 14.267 ( 0.645 1.517 1.302) 2.100 14.322 ( 1.432 2.301 -0.972) 2.880 15.885 ( -1.413 0.246 0.216) 1.450 15.972 ( -4.679 -1.001 -0.815) 4.854 16.698 ( -0.624 1.373 0.908) 1.761 16.732 ( 0.583 0.588 -0.068) 0.831 16.933 ( -0.234 1.033 -0.694) 1.266 17.080 ( 0.435 -0.839 -3.132) 3.271 17.201 ( 0.901 -1.110 2.110) 2.548 17.214 ( -0.647 -1.811 2.804) 3.400 17.693 ( 5.045 -3.740 -0.860) 6.338 17.771 ( 0.972 -3.482 -0.778) 3.698 18.531 ( -0.191 2.181 0.192) 2.198 18.549 ( 0.161 2.296 -0.643) 2.390 18.707 ( 0.896 1.270 0.611) 1.670 18.750 ( 1.565 0.463 -0.660) 1.761 19.289 ( -0.419 0.109 -0.045) 0.435 19.313 ( -1.106 0.083 -0.527) 1.228 20.070 ( -1.110 -1.263 1.623) 2.337 20.118 ( 1.591 -2.213 -0.985) 2.898 20.324 ( -1.303 1.963 1.074) 2.589 20.389 ( -0.657 1.490 -0.906) 1.864 22.335 ( 4.534 -2.905 9.105) 10.578 22.920 ( -1.281 -17.812 -2.429) 18.023 24.705 ( 1.391 5.158 -0.446) 5.361 24.885 ( 6.362 -3.929 -6.766) 10.084 25.716 ( -2.256 -4.515 9.311) 10.591 26.134 ( -0.450 -1.891 0.560) 2.022 26.199 ( 10.143 4.353 -5.753) 12.447 26.469 ( -12.595 9.481 -5.360) 16.651 26.653 ( 7.672 7.464 2.770) 11.057 26.846 ( -8.138 4.239 4.381) 10.168 31.744 ( 2.230 -0.382 0.833) 2.411 31.957 ( -1.868 -2.710 -2.351) 4.044 32.275 ( -1.153 -6.596 6.772) 9.524 32.591 ( 1.837 -14.224 -2.603) 14.576 ======================= Grid point 81 (39/75) ======================= q-point: (-0.43 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 9.745 6.795 2.656) 12.174 1.726 ( -5.628 5.710 -9.321) 12.295 2.063 ( -7.223 4.935 3.816) 9.544 2.186 ( 0.682 2.966 -2.032) 3.659 2.575 ( -9.322 5.004 -4.251) 11.402 2.768 ( -6.405 3.133 4.839) 8.617 2.878 ( 4.587 9.772 -0.317) 10.800 3.091 ( -0.057 12.098 -7.337) 14.149 3.298 ( 2.663 2.109 8.415) 9.074 3.369 ( -8.369 8.505 3.911) 12.557 3.509 ( 2.427 4.930 -5.942) 8.093 3.607 ( -2.288 9.424 5.398) 11.098 3.692 ( -2.619 6.500 -2.109) 7.318 3.842 ( -1.481 -3.082 0.129) 3.421 3.904 ( 10.298 -0.706 0.028) 10.322 4.208 ( 1.762 4.534 3.562) 6.029 4.242 ( -2.531 -4.149 -0.677) 4.907 4.306 ( 0.062 1.320 -1.447) 1.959 4.367 ( 0.373 2.509 -3.809) 4.576 4.470 ( -0.501 1.785 3.211) 3.708 4.561 ( -0.563 -0.183 1.133) 1.278 4.605 ( -5.507 -0.325 -1.507) 5.718 4.785 ( 1.334 -9.374 -2.448) 9.780 4.999 ( 0.758 0.549 -0.515) 1.068 5.105 ( -10.957 3.297 -5.356) 12.634 5.130 ( 2.816 -3.222 3.341) 5.429 5.329 ( 4.484 -0.535 8.317) 9.464 5.453 ( 2.078 -1.256 5.446) 5.962 5.531 ( 0.133 -3.520 -6.747) 7.611 5.617 ( -2.626 -0.761 -0.734) 2.831 5.668 ( -2.509 -4.064 -1.486) 5.002 5.823 ( 3.067 -5.625 -2.433) 6.853 5.956 ( -1.345 -3.470 5.193) 6.389 6.021 ( 2.195 -7.785 4.300) 9.161 6.076 ( -0.871 -2.167 2.336) 3.303 6.101 ( 3.278 3.364 4.450) 6.471 6.251 ( -2.529 -1.698 -4.645) 5.555 6.320 ( 1.286 1.793 -2.245) 3.148 6.390 ( 3.254 -1.087 1.142) 3.616 6.577 ( 0.570 0.343 3.823) 3.880 6.638 ( 0.097 1.142 -3.709) 3.882 6.697 ( 4.039 0.960 4.257) 5.946 6.896 ( -3.345 0.684 0.374) 3.434 6.922 ( 0.215 -1.749 -3.474) 3.895 6.988 ( -0.915 -1.495 2.655) 3.181 7.144 ( -3.082 -0.066 -2.042) 3.697 7.250 ( -0.930 0.316 -1.165) 1.524 7.322 ( -0.299 1.691 1.036) 2.005 7.457 ( -3.151 6.601 2.890) 7.865 7.545 ( 2.989 -1.383 1.810) 3.758 7.674 ( -4.705 -1.115 -5.352) 7.213 7.720 ( -0.641 1.512 -2.707) 3.167 7.789 ( 4.367 -1.569 -3.710) 5.942 7.859 ( 2.033 -5.480 -5.502) 8.027 8.046 ( -2.649 -3.469 1.274) 4.547 8.085 ( 4.356 -1.545 0.522) 4.652 8.117 ( 1.505 -6.085 -1.351) 6.412 8.252 ( 2.236 -3.364 -4.086) 5.746 8.366 ( -4.887 2.586 0.746) 5.579 8.561 ( -2.710 3.246 5.031) 6.572 8.614 ( 7.175 -0.131 -1.848) 7.410 8.662 ( 1.223 4.997 4.288) 6.697 8.823 ( 1.946 -3.674 4.990) 6.495 9.043 ( -6.665 -0.581 -0.373) 6.700 9.163 ( 0.090 -4.010 -8.240) 9.164 9.325 ( 2.964 -1.275 -0.201) 3.233 9.957 ( -1.226 -4.064 -1.090) 4.382 9.978 ( 2.575 -5.922 -0.945) 6.527 10.146 ( 3.704 -0.112 5.884) 6.954 10.231 ( -4.233 -6.929 6.080) 10.144 10.423 ( 2.989 -3.205 -1.006) 4.496 10.472 ( -4.414 -5.535 -1.631) 7.265 10.722 ( -0.218 0.087 -0.715) 0.752 10.760 ( -2.391 0.466 -3.265) 4.073 10.817 ( 0.638 -1.708 -2.196) 2.854 10.898 ( 2.513 1.701 0.509) 3.077 11.176 ( 1.627 2.555 4.500) 5.425 11.351 ( 3.560 2.405 -3.446) 5.508 12.750 ( -0.388 -0.841 4.509) 4.604 12.855 ( 1.351 -2.864 0.228) 3.175 13.124 ( 1.836 7.005 -2.485) 7.656 13.206 ( 3.116 2.591 -5.570) 6.888 13.851 ( -4.970 0.458 0.413) 5.009 13.915 ( 1.910 0.927 0.781) 2.263 14.261 ( -2.545 1.711 1.128) 3.268 14.329 ( 0.236 2.468 -0.809) 2.608 15.905 ( 2.102 -0.296 0.651) 2.220 15.949 ( 4.382 -0.421 -1.242) 4.574 16.695 ( -0.689 1.104 0.891) 1.578 16.740 ( 0.455 0.546 -0.326) 0.782 16.939 ( 0.795 0.984 0.567) 1.386 17.054 ( 0.502 0.320 -3.778) 3.824 17.204 ( -2.248 -0.247 2.232) 3.177 17.241 ( 0.285 -2.639 2.370) 3.559 17.700 ( -4.900 -4.534 -0.499) 6.694 17.743 ( -1.726 -3.624 -1.165) 4.180 18.526 ( -0.463 2.314 0.061) 2.361 18.552 ( 0.724 2.142 -0.509) 2.318 18.711 ( -1.202 1.173 0.731) 1.832 18.747 ( -1.123 0.743 -0.780) 1.556 19.294 ( 0.877 0.126 0.065) 0.888 19.306 ( 1.052 0.009 -0.620) 1.221 20.056 ( -1.559 -0.874 1.018) 2.057 20.145 ( 1.727 -3.077 -0.430) 3.555 20.325 ( 0.175 2.077 1.260) 2.435 20.383 ( 1.053 1.399 -1.082) 2.059 22.466 ( -3.391 -8.079 13.537) 16.125 22.803 ( -5.129 -13.310 -6.854) 15.826 24.701 ( -1.429 3.633 -0.194) 3.909 24.935 ( 6.428 -3.451 -7.443) 10.422 25.721 ( -8.103 -6.488 10.423) 14.710 26.106 ( -4.744 -5.387 -3.318) 7.908 26.230 ( -0.861 13.877 0.939) 13.935 26.346 ( 6.552 8.912 -7.322) 13.266 26.713 ( -8.305 2.440 1.974) 8.878 26.874 ( 11.776 6.390 3.728) 13.907 31.811 ( 3.116 -1.282 2.443) 4.162 31.898 ( -0.647 -1.906 -4.098) 4.566 32.280 ( -6.545 -8.704 7.614) 13.288 32.584 ( 1.155 -12.511 -3.253) 12.978 ======================= Grid point 82 (40/75) ======================= q-point: (-0.29 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -9.625 13.937 -10.516) 19.937 1.892 ( -14.636 5.384 5.476) 16.528 1.954 ( 3.884 5.364 -8.311) 10.627 2.175 ( -0.431 5.098 1.679) 5.385 2.454 ( 0.704 7.723 2.618) 8.185 2.709 ( -7.165 2.603 9.468) 12.156 2.905 ( -1.209 0.665 0.408) 1.439 2.968 ( -2.781 10.400 -10.389) 14.960 3.213 ( -11.484 15.924 5.707) 20.446 3.293 ( -8.229 -4.054 7.052) 11.571 3.496 ( -1.349 1.073 -5.469) 5.734 3.675 ( 6.123 9.791 -1.513) 11.647 3.753 ( 2.306 1.337 -2.443) 3.615 3.844 ( 6.929 4.732 9.321) 12.541 4.051 ( -14.048 5.652 7.123) 16.734 4.136 ( 4.529 -4.261 0.511) 6.239 4.180 ( 2.462 3.934 -2.059) 5.077 4.317 ( 2.172 1.882 -7.201) 7.753 4.424 ( 3.502 1.237 0.596) 3.762 4.433 ( -4.810 -4.836 -3.304) 7.578 4.561 ( -0.579 -0.269 0.294) 0.703 4.627 ( 7.546 -0.680 3.845) 8.497 4.774 ( 0.487 -8.101 -1.674) 8.287 4.923 ( -4.806 3.806 2.012) 6.452 5.015 ( 0.501 2.029 0.168) 2.097 5.230 ( 0.579 -2.836 3.643) 4.652 5.387 ( -2.391 -6.178 -2.231) 6.990 5.427 ( 2.574 -1.673 -2.587) 4.014 5.525 ( -3.782 0.931 -0.103) 3.896 5.537 ( -1.550 -2.823 -4.256) 5.337 5.588 ( -4.459 0.054 1.412) 4.678 5.801 ( 2.152 -0.304 -2.661) 3.436 5.989 ( -7.596 -4.313 0.949) 8.786 6.052 ( -1.229 2.204 3.651) 4.438 6.077 ( -1.602 -8.099 -3.068) 8.807 6.111 ( 3.292 -7.101 2.351) 8.172 6.248 ( 0.657 1.734 -0.099) 1.857 6.355 ( 2.120 1.578 0.437) 2.678 6.483 ( 3.944 0.444 -0.977) 4.087 6.603 ( 5.544 -0.026 -2.795) 6.208 6.663 ( -5.776 3.044 6.599) 9.283 6.757 ( -5.525 -0.106 -9.082) 10.631 6.778 ( 2.659 1.987 0.106) 3.321 6.912 ( -1.252 2.983 8.138) 8.757 6.961 ( 1.477 1.690 -3.343) 4.027 7.088 ( -1.765 -2.407 2.473) 3.876 7.252 ( 1.645 1.580 -0.676) 2.379 7.363 ( 3.009 0.059 1.604) 3.410 7.486 ( -3.238 0.855 -3.774) 5.046 7.490 ( -3.689 3.107 6.224) 7.874 7.623 ( -1.409 -8.792 -1.464) 9.024 7.723 ( 3.249 1.526 -2.553) 4.405 7.760 ( -1.916 -2.857 -3.747) 5.086 7.846 ( -0.573 -3.297 1.501) 3.668 8.031 ( 0.627 -5.225 -1.217) 5.401 8.123 ( -0.977 -6.299 -0.353) 6.384 8.153 ( -0.868 -2.209 2.489) 3.439 8.252 ( 3.968 -0.883 -2.295) 4.668 8.361 ( 5.181 1.038 -1.991) 5.647 8.587 ( 0.387 4.266 4.190) 5.992 8.630 ( 0.571 -3.485 -0.920) 3.649 8.775 ( 5.170 1.835 -0.228) 5.491 8.878 ( 2.398 0.435 -4.223) 4.875 9.009 ( 3.475 -1.272 3.285) 4.948 9.136 ( 3.807 -2.215 -4.496) 6.294 9.384 ( 0.243 -0.235 6.840) 6.848 9.903 ( -3.703 -6.639 -1.210) 7.697 10.021 ( 1.477 -10.052 -0.086) 10.160 10.173 ( -4.240 -6.674 1.013) 7.972 10.250 ( 3.768 -0.755 0.830) 3.931 10.403 ( -1.569 0.564 -0.152) 1.674 10.455 ( 0.473 1.023 0.350) 1.180 10.674 ( -4.485 1.520 -0.530) 4.765 10.691 ( -0.947 -1.784 -1.403) 2.459 10.825 ( 2.407 -3.764 -3.162) 5.473 10.976 ( 4.375 1.748 1.993) 5.115 11.248 ( 0.358 2.341 5.225) 5.736 11.402 ( 5.535 3.676 -5.049) 8.345 12.827 ( 4.065 -0.308 1.166) 4.241 12.924 ( 6.266 -0.508 0.406) 6.299 13.117 ( 1.141 2.353 -2.019) 3.304 13.213 ( 1.447 0.393 -3.479) 3.788 13.780 ( -2.046 2.653 0.149) 3.354 13.926 ( -1.800 1.924 1.210) 2.899 14.202 ( -4.906 1.713 1.193) 5.332 14.313 ( -0.925 2.440 -1.131) 2.844 15.985 ( 6.751 -1.047 -0.154) 6.834 16.074 ( 8.593 -0.217 -0.062) 8.596 16.691 ( -0.723 0.996 0.862) 1.502 16.744 ( 0.503 0.411 -0.471) 0.802 16.960 ( 0.661 0.098 0.063) 0.671 17.033 ( 1.107 1.941 -2.773) 3.561 17.173 ( -3.098 -0.538 1.919) 3.683 17.270 ( 0.859 -1.698 1.818) 2.632 17.540 ( -10.411 -4.033 -1.572) 11.275 17.669 ( -6.299 -3.144 0.427) 7.053 18.518 ( -0.394 2.048 0.182) 2.093 18.562 ( 0.920 1.498 -0.501) 1.828 18.679 ( -2.826 0.814 0.488) 2.982 18.702 ( -2.560 1.043 -0.752) 2.865 19.320 ( 1.987 0.066 -0.050) 1.989 19.334 ( 2.153 0.131 -0.174) 2.164 20.041 ( -0.680 -0.369 0.451) 0.896 20.162 ( 0.216 -3.563 -0.045) 3.569 20.353 ( 1.524 2.118 1.315) 2.922 20.407 ( 2.564 1.713 -0.779) 3.181 22.418 ( -14.080 -11.094 8.636) 19.897 22.662 ( -6.695 -12.979 -0.016) 14.604 24.663 ( -1.503 1.784 -1.231) 2.638 24.957 ( 4.497 -3.995 -8.800) 10.659 25.646 ( -8.916 -5.916 7.917) 13.311 25.955 ( -6.403 1.466 -1.983) 6.862 26.275 ( 1.054 4.410 0.499) 4.562 26.412 ( 5.996 15.967 -0.335) 17.059 26.563 ( -8.779 0.867 -0.139) 8.823 27.171 ( 17.353 5.234 0.884) 18.147 31.838 ( 0.913 -1.166 -4.245) 4.496 31.921 ( 3.742 -1.133 2.703) 4.753 32.186 ( -11.311 -10.942 7.199) 17.306 32.576 ( 0.484 -10.690 -2.035) 10.893 ======================= Grid point 83 (41/75) ======================= q-point: (-0.14 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 0.994 19.553 3.306) 19.856 1.626 ( -23.513 14.071 13.272) 30.447 1.868 ( 7.730 5.632 -18.119) 20.489 2.133 ( -3.682 0.563 -5.183) 6.383 2.553 ( 2.390 3.588 8.983) 9.964 2.680 ( -4.265 11.287 2.132) 12.252 2.833 ( -1.533 3.117 -5.852) 6.805 2.883 ( 1.873 -4.461 -5.502) 7.327 3.056 ( -12.152 19.199 4.477) 23.159 3.225 ( -7.582 0.306 10.652) 13.078 3.433 ( -2.090 -3.736 0.053) 4.281 3.721 ( -8.450 1.499 2.474) 8.931 3.780 ( -0.583 1.382 5.622) 5.818 3.896 ( 1.374 11.012 4.049) 11.813 3.990 ( -2.365 4.897 2.962) 6.193 4.166 ( 3.417 1.358 -3.690) 5.210 4.221 ( 0.463 -3.813 -0.672) 3.899 4.320 ( 3.384 0.438 -2.847) 4.444 4.397 ( 4.769 -3.342 -3.612) 6.853 4.521 ( 4.273 1.563 -2.772) 5.328 4.570 ( 4.023 -3.308 5.236) 7.385 4.695 ( 1.001 -0.795 -2.440) 2.755 4.853 ( 0.594 2.720 -0.883) 2.921 4.921 ( -2.577 -3.961 11.647) 12.569 4.981 ( -1.407 5.044 -2.234) 5.693 5.156 ( -4.397 -3.990 -2.854) 6.588 5.331 ( 1.879 -3.315 -12.498) 13.066 5.410 ( 0.115 0.828 1.588) 1.795 5.438 ( -2.974 1.693 -0.512) 3.460 5.529 ( 7.859 0.765 -3.336) 8.572 5.704 ( 4.707 0.675 4.211) 6.351 5.773 ( -2.225 -2.347 -4.974) 5.933 5.868 ( -1.502 0.630 2.218) 2.751 5.924 ( -10.318 -3.437 -4.194) 11.656 6.070 ( -1.249 4.393 2.670) 5.291 6.120 ( -3.749 -3.477 -1.830) 5.431 6.308 ( 0.291 -3.126 1.574) 3.512 6.331 ( -5.768 3.693 -3.323) 7.612 6.434 ( -4.962 -5.560 -2.767) 7.950 6.476 ( -1.475 0.183 0.218) 1.502 6.662 ( 0.459 -5.051 -0.892) 5.149 6.744 ( 3.684 -1.617 -2.932) 4.979 6.821 ( -0.908 2.295 0.364) 2.495 6.903 ( 4.004 5.577 -5.275) 8.658 7.054 ( 2.708 -4.224 3.025) 5.859 7.176 ( 6.097 2.706 5.274) 8.504 7.309 ( 3.676 6.551 3.146) 8.144 7.320 ( -7.035 -1.600 -3.625) 8.074 7.383 ( -7.309 -1.642 3.540) 8.286 7.495 ( 0.540 0.189 0.926) 1.089 7.560 ( -1.340 -6.031 -2.672) 6.732 7.664 ( 0.218 -5.386 -4.290) 6.889 7.792 ( -0.513 -0.621 5.923) 5.978 7.903 ( 3.031 -0.895 -0.162) 3.165 7.994 ( -8.624 -4.564 9.237) 13.436 8.053 ( 1.130 -0.786 -3.501) 3.762 8.214 ( 2.273 -4.517 3.589) 6.201 8.347 ( 6.517 -2.620 -1.531) 7.189 8.427 ( 3.489 -0.548 -2.257) 4.191 8.603 ( 1.022 3.466 -0.058) 3.614 8.698 ( -0.495 1.359 -1.657) 2.199 8.769 ( 2.441 0.195 3.559) 4.320 8.970 ( 9.988 -1.333 -8.703) 13.315 9.127 ( 5.228 -4.247 3.299) 7.500 9.173 ( 3.171 -2.035 -3.464) 5.118 9.473 ( -2.293 -5.003 11.648) 12.883 9.809 ( -3.905 -8.361 -0.640) 9.250 10.003 ( -4.261 -11.447 3.546) 12.718 10.155 ( 2.688 -1.255 -3.761) 4.790 10.299 ( 2.707 -3.984 -4.803) 6.802 10.398 ( 0.627 2.799 -1.329) 3.161 10.472 ( 3.340 6.216 3.535) 7.893 10.592 ( -4.564 0.359 1.087) 4.706 10.690 ( 0.089 -3.231 1.234) 3.460 10.825 ( 1.111 -4.193 -3.436) 5.533 11.075 ( 4.726 3.118 0.045) 5.662 11.278 ( -2.480 2.297 4.882) 5.938 11.430 ( 3.033 3.705 -5.065) 6.970 12.882 ( 3.612 1.203 -2.895) 4.783 13.041 ( -2.247 -3.042 1.152) 3.953 13.107 ( 3.954 1.100 -0.799) 4.181 13.239 ( 5.670 -2.920 -2.389) 6.810 13.795 ( 2.668 4.411 -0.263) 5.162 13.880 ( -4.103 3.618 1.475) 5.665 14.125 ( -4.654 1.432 2.020) 5.272 14.279 ( -0.986 2.224 -1.853) 3.058 16.129 ( 8.127 -1.537 0.107) 8.272 16.218 ( 6.011 -0.649 0.156) 6.048 16.687 ( -0.563 1.103 0.846) 1.499 16.750 ( 0.566 0.228 -0.450) 0.758 16.963 ( 0.922 0.107 -0.981) 1.350 17.035 ( 0.207 1.107 -0.716) 1.335 17.147 ( -0.717 0.461 1.243) 1.507 17.298 ( -2.737 -1.546 -1.792) 3.618 17.351 ( -4.012 -0.996 1.681) 4.462 17.533 ( -9.101 -2.258 1.400) 9.481 18.517 ( -0.070 1.702 0.541) 1.787 18.572 ( 0.538 0.364 -0.578) 0.869 18.629 ( -2.531 0.478 0.170) 2.581 18.654 ( -1.429 1.204 -0.951) 2.097 19.356 ( 1.467 0.160 0.201) 1.489 19.372 ( 1.907 -0.002 0.006) 1.907 20.045 ( 0.802 0.015 0.327) 0.866 20.146 ( -2.003 -3.543 0.084) 4.071 20.403 ( 2.180 2.328 1.482) 3.517 20.449 ( 2.272 2.193 -0.452) 3.190 22.204 ( -17.176 -9.152 8.548) 21.257 22.487 ( -11.770 -13.597 -0.474) 17.990 24.635 ( 0.072 0.623 -1.288) 1.433 24.936 ( 4.096 -3.419 -10.511) 11.788 25.587 ( -4.740 -3.304 5.917) 8.270 25.850 ( -4.029 0.083 -0.201) 4.035 26.255 ( 0.070 6.245 -3.670) 7.244 26.405 ( -7.602 2.267 -0.403) 7.943 26.569 ( 4.317 14.806 10.952) 18.915 27.456 ( 14.832 1.060 -7.187) 16.515 31.831 ( 2.958 0.002 -3.749) 4.775 31.974 ( -4.540 -2.692 -0.563) 5.308 32.066 ( -5.953 -7.981 10.518) 14.483 32.546 ( -1.128 -10.002 -3.297) 10.592 ======================= Grid point 84 (42/75) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 3.402 0.911 10.917) 11.471 1.680 ( -9.021 11.938 7.100) 16.562 1.974 ( 0.957 -3.048 -4.745) 5.720 2.119 ( 5.388 8.944 -12.138) 16.011 2.649 ( -2.816 0.294 -1.989) 3.460 2.709 ( 0.306 0.037 -1.728) 1.755 2.831 ( 5.249 5.992 3.221) 8.593 2.899 ( 0.133 8.405 3.332) 9.043 3.175 ( 0.920 1.400 -2.595) 3.089 3.295 ( 0.269 -3.820 1.148) 3.998 3.476 ( 6.433 7.396 -5.133) 11.065 3.625 ( -10.836 -4.615 4.721) 12.689 3.793 ( -2.649 6.382 -1.662) 7.107 3.985 ( 4.406 1.411 2.867) 5.442 4.168 ( -0.975 -2.381 2.068) 3.301 4.187 ( -5.407 5.634 4.427) 8.976 4.346 ( -2.658 1.084 3.230) 4.321 4.355 ( 7.248 2.887 3.272) 8.460 4.563 ( 2.521 3.685 -3.615) 5.745 4.611 ( 1.373 14.762 6.536) 16.202 4.663 ( -2.320 4.916 4.915) 7.329 4.694 ( -5.778 -2.379 3.495) 7.160 4.708 ( -1.942 1.639 -5.024) 5.630 4.946 ( 3.981 -5.141 -6.533) 9.217 5.033 ( 5.734 0.934 -1.368) 5.969 5.080 ( -1.581 -0.439 -1.773) 2.416 5.355 ( -1.109 -2.336 0.887) 2.734 5.368 ( -2.330 5.151 -0.671) 5.694 5.449 ( -3.833 -5.441 3.294) 7.426 5.477 ( -2.503 -2.175 -7.643) 8.332 5.669 ( 9.054 -4.648 4.954) 11.319 5.686 ( -6.893 6.146 -3.879) 10.017 5.849 ( -1.865 1.485 -9.606) 9.897 5.917 ( -4.576 -1.976 -3.414) 6.042 5.981 ( 1.267 3.601 2.750) 4.705 6.062 ( 7.912 -2.065 5.418) 9.809 6.192 ( 0.375 -6.694 6.835) 9.574 6.378 ( 0.419 2.347 -2.857) 3.721 6.401 ( 0.105 -2.427 -1.780) 3.011 6.467 ( 2.071 2.643 1.149) 3.549 6.580 ( -0.546 1.863 -6.932) 7.198 6.672 ( 0.726 -1.580 -5.819) 6.073 6.874 ( -4.823 -4.146 0.694) 6.398 6.930 ( -3.314 4.760 -2.809) 6.445 7.049 ( 3.081 2.513 -0.344) 3.991 7.162 ( 4.894 -2.597 0.007) 5.540 7.218 ( -4.114 -3.075 -1.192) 5.273 7.357 ( 3.254 1.232 -3.433) 4.888 7.374 ( -5.996 -1.004 0.007) 6.079 7.471 ( 3.134 -0.212 2.702) 4.143 7.606 ( 2.804 -0.038 1.313) 3.096 7.652 ( 0.461 2.170 1.314) 2.578 7.769 ( 1.615 -1.200 3.748) 4.254 7.839 ( -3.689 -5.655 5.032) 8.421 7.904 ( -1.435 -6.221 6.537) 9.138 8.029 ( 5.537 -5.875 -0.436) 8.085 8.156 ( -3.688 -1.467 -1.076) 4.112 8.361 ( 2.431 -0.042 -4.733) 5.321 8.481 ( 0.350 -0.650 3.053) 3.141 8.539 ( -1.093 -6.569 -4.855) 8.242 8.645 ( -1.303 1.567 -1.905) 2.790 8.879 ( 1.599 -2.039 -6.943) 7.410 9.014 ( -0.795 0.892 3.544) 3.740 9.092 ( 0.345 -1.445 -0.266) 1.509 9.201 ( 2.674 -3.194 3.968) 5.753 9.279 ( -2.535 -4.036 2.186) 5.243 9.732 ( 0.671 -3.777 6.144) 7.243 9.818 ( -3.033 -4.045 4.807) 6.976 10.089 ( -0.793 -8.553 -1.740) 8.764 10.143 ( 4.277 -5.804 -2.777) 7.726 10.396 ( -3.025 -0.752 -0.342) 3.135 10.529 ( -3.133 -3.281 2.643) 5.250 10.551 ( -1.337 0.971 -2.111) 2.681 10.645 ( 3.688 -0.742 1.486) 4.045 10.913 ( 4.237 5.248 -3.011) 7.386 11.146 ( 2.309 -0.360 -6.821) 7.211 11.316 ( -5.221 4.254 5.858) 8.926 11.474 ( 0.404 0.734 -0.563) 1.010 12.900 ( -1.963 -0.330 -1.359) 2.410 12.938 ( 4.370 -0.337 -2.591) 5.091 13.186 ( -0.695 0.350 0.645) 1.011 13.252 ( 0.819 -1.898 -1.802) 2.743 13.871 ( -1.237 3.194 2.719) 4.373 13.952 ( -0.776 3.618 1.393) 3.954 14.122 ( -0.197 1.703 0.993) 1.981 14.277 ( 0.980 -0.037 -3.056) 3.209 16.205 ( 1.186 -1.135 0.631) 1.759 16.224 ( -1.840 -1.796 0.586) 2.637 16.715 ( 0.019 1.171 0.713) 1.371 16.748 ( 0.083 -0.225 -0.480) 0.537 17.009 ( 2.337 0.762 -0.719) 2.561 17.017 ( -1.122 0.623 -0.675) 1.450 17.166 ( -3.654 1.695 -0.346) 4.043 17.228 ( 2.447 1.224 -1.754) 3.250 17.360 ( -5.420 -1.737 2.463) 6.202 17.408 ( 5.782 -2.197 1.443) 6.351 18.554 ( -0.140 1.096 0.762) 1.342 18.570 ( 0.243 0.082 0.009) 0.256 18.614 ( -0.003 0.518 -0.110) 0.529 18.645 ( 0.166 0.059 -1.134) 1.148 19.373 ( -0.647 0.334 0.625) 0.959 19.394 ( 0.220 -0.140 0.413) 0.489 20.046 ( -0.679 -1.545 0.275) 1.710 20.063 ( 0.396 -1.460 -0.350) 1.553 20.493 ( -0.673 2.578 0.710) 2.758 20.516 ( 0.575 1.698 -0.129) 1.798 21.950 ( -5.870 0.224 5.348) 7.944 22.213 ( 4.493 -7.674 -4.020) 9.759 24.655 ( 0.109 1.016 1.229) 1.598 24.834 ( 1.429 -3.722 -5.648) 6.913 25.534 ( -1.250 -1.696 3.082) 3.733 25.708 ( 0.393 -6.197 -1.735) 6.447 26.405 ( 2.656 6.412 -0.743) 6.980 26.420 ( -2.755 6.916 -1.253) 7.549 27.002 ( 0.151 11.324 9.817) 14.987 27.448 ( -0.591 -3.393 -7.093) 7.885 31.814 ( -4.833 0.891 0.827) 4.984 31.892 ( 4.538 1.387 -1.985) 5.144 32.037 ( -1.206 -3.998 5.780) 7.130 32.295 ( 0.779 -9.382 -4.069) 10.256 ======================= Grid point 85 (43/75) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 5.887 12.750 0.410) 14.049 1.774 ( 2.027 -1.616 7.362) 7.805 2.003 ( 4.967 4.395 0.234) 6.636 2.118 ( 4.219 -0.472 -5.337) 6.820 2.441 ( -3.635 8.456 -8.174) 12.310 2.769 ( 1.249 -3.710 -0.963) 4.031 2.941 ( 2.683 7.259 -0.186) 7.742 2.971 ( 2.335 8.494 9.463) 12.928 3.259 ( 7.090 1.828 -3.018) 7.919 3.367 ( 8.387 -0.376 -1.430) 8.516 3.525 ( 2.060 -8.252 -3.153) 9.070 3.585 ( 4.590 3.725 3.059) 6.656 3.815 ( 5.071 4.502 -0.724) 6.820 4.052 ( -6.248 3.521 -0.316) 7.178 4.129 ( 4.336 0.911 8.884) 9.927 4.276 ( -4.621 7.811 -2.737) 9.479 4.288 ( 2.540 7.048 6.753) 10.086 4.428 ( -9.431 2.987 -2.253) 10.145 4.495 ( -2.585 -0.406 3.867) 4.669 4.516 ( 0.881 3.377 -1.995) 4.019 4.604 ( 0.106 4.853 -0.417) 4.872 4.708 ( -4.314 0.261 1.517) 4.581 4.715 ( -9.119 1.659 1.869) 9.455 4.969 ( 4.602 -7.288 -0.370) 8.627 5.032 ( 4.565 -2.510 0.282) 5.217 5.106 ( 0.609 -2.150 -4.678) 5.184 5.287 ( -2.441 1.217 2.347) 3.599 5.309 ( -3.987 -4.365 2.747) 6.519 5.427 ( 0.382 6.808 2.567) 7.286 5.465 ( -1.199 4.774 -6.579) 8.217 5.589 ( 1.529 -2.251 -0.452) 2.758 5.669 ( -3.512 4.004 -9.059) 10.509 5.836 ( -0.532 -4.301 2.447) 4.976 5.908 ( 5.887 -5.935 4.612) 9.547 6.057 ( 4.128 4.111 1.290) 5.967 6.249 ( 3.328 -0.973 -1.955) 3.981 6.288 ( 1.648 -1.185 1.687) 2.639 6.334 ( -1.165 1.821 -1.799) 2.813 6.404 ( 6.119 -2.924 1.136) 6.876 6.455 ( 0.353 2.090 -2.377) 3.185 6.556 ( 2.081 1.501 -3.363) 4.230 6.711 ( 5.773 0.635 -9.231) 10.906 6.753 ( -5.184 -3.925 3.215) 7.254 6.781 ( -6.075 3.299 0.557) 6.935 7.081 ( -5.990 0.458 -0.726) 6.051 7.176 ( 0.111 4.177 -4.218) 5.937 7.232 ( 3.960 0.484 5.534) 6.823 7.278 ( -1.418 -5.160 -0.344) 5.362 7.425 ( 0.391 -4.185 0.803) 4.280 7.508 ( 0.720 0.956 1.450) 1.880 7.645 ( 0.881 -1.891 -4.150) 4.645 7.683 ( 5.383 -0.041 -2.506) 5.938 7.822 ( -0.855 -6.036 2.191) 6.478 7.841 ( 3.605 -2.936 1.742) 4.965 7.998 ( -0.464 -3.537 10.827) 11.399 8.072 ( -3.527 -2.734 0.595) 4.502 8.137 ( 6.628 -5.321 -0.062) 8.500 8.324 ( -0.680 -0.675 -5.345) 5.430 8.423 ( -5.030 -1.009 -3.542) 6.234 8.557 ( 2.528 -5.438 2.698) 6.576 8.566 ( -4.923 3.620 0.347) 6.121 8.849 ( 0.004 2.530 -6.003) 6.514 8.948 ( -3.591 -6.767 -0.225) 7.664 9.017 ( -10.754 2.513 1.462) 11.140 9.230 ( 2.207 0.273 -1.096) 2.479 9.325 ( -0.770 -7.246 4.843) 8.749 9.779 ( -1.744 -7.650 3.121) 8.444 9.844 ( 2.281 -2.566 5.363) 6.368 10.097 ( 1.865 -3.695 -0.937) 4.244 10.162 ( 1.357 -3.193 -4.496) 5.679 10.338 ( -4.822 -2.819 2.458) 6.102 10.460 ( -2.424 1.819 -1.968) 3.613 10.570 ( 1.676 -2.285 3.340) 4.380 10.715 ( 3.422 -3.188 -0.783) 4.742 10.929 ( -0.369 3.020 -1.531) 3.406 11.057 ( -2.868 0.397 -7.445) 7.988 11.281 ( -4.635 5.524 5.725) 9.208 11.490 ( 0.494 -0.491 -0.217) 0.730 12.913 ( 5.346 1.659 -2.716) 6.222 13.039 ( 8.253 -1.912 -1.257) 8.565 13.092 ( -9.524 -0.057 1.000) 9.577 13.151 ( -8.793 -2.098 -1.375) 9.143 13.904 ( 0.684 4.182 1.733) 4.578 13.941 ( -0.923 3.699 1.527) 4.106 14.169 ( 3.323 1.172 1.461) 3.814 14.285 ( 2.951 -0.278 -2.932) 4.169 16.113 ( -8.113 -0.195 0.298) 8.121 16.189 ( -4.987 -2.139 0.526) 5.452 16.724 ( 0.053 1.283 1.055) 1.662 16.742 ( -0.026 0.386 -0.908) 0.987 16.995 ( -0.003 -0.675 -1.511) 1.655 17.048 ( 0.495 -0.675 0.868) 1.206 17.115 ( -0.701 2.279 0.200) 2.393 17.219 ( -1.505 -0.208 -0.628) 1.644 17.392 ( 5.919 0.206 0.901) 5.991 17.537 ( 6.754 -3.088 0.529) 7.445 18.555 ( -0.012 1.056 0.390) 1.125 18.583 ( 0.653 0.491 -0.004) 0.817 18.639 ( 2.516 0.603 0.032) 2.587 18.660 ( 2.650 0.126 -0.919) 2.808 19.352 ( -2.079 0.427 0.472) 2.174 19.384 ( -1.613 -0.237 0.342) 1.665 20.033 ( -0.295 -0.867 -0.009) 0.916 20.076 ( 0.505 -1.664 0.062) 1.740 20.452 ( -3.449 2.701 0.415) 4.401 20.501 ( -2.180 1.269 -0.032) 2.523 21.992 ( 4.920 1.787 3.565) 6.333 22.344 ( 11.642 -10.506 -1.995) 15.808 24.680 ( 1.419 0.392 1.069) 1.819 24.799 ( 0.879 -2.609 -4.952) 5.666 25.549 ( -0.103 -1.676 2.948) 3.393 25.753 ( 5.585 -7.406 -1.582) 9.410 26.377 ( -0.471 8.772 -1.399) 8.895 26.477 ( 5.501 5.183 0.031) 7.558 27.058 ( -5.311 8.186 10.351) 14.226 27.279 ( -8.750 1.036 -8.003) 11.903 31.756 ( -2.025 1.805 -0.196) 2.719 31.957 ( 3.082 1.078 -0.263) 3.276 32.044 ( -2.676 -6.084 4.631) 8.101 32.293 ( 2.936 -9.021 -3.467) 10.101 ======================= Grid point 86 (44/75) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -5.968 6.472 -7.725) 11.713 1.837 ( 13.011 6.943 -3.621) 15.186 2.109 ( 6.304 8.067 -1.856) 10.405 2.170 ( -0.859 -3.173 10.443) 10.949 2.503 ( 10.828 3.125 -0.645) 11.288 2.772 ( 2.872 -2.177 -3.614) 5.104 2.988 ( -0.694 6.330 3.760) 7.396 3.088 ( 6.474 0.839 2.175) 6.881 3.346 ( 8.497 6.801 -2.199) 11.103 3.545 ( 4.260 -1.923 7.067) 8.473 3.598 ( 8.918 -1.306 -5.640) 10.632 3.683 ( 2.172 -1.432 -1.768) 3.145 3.806 ( -7.302 6.763 -7.182) 12.273 3.964 ( -2.821 7.665 3.685) 8.960 4.067 ( -1.451 10.340 -0.368) 10.447 4.239 ( -6.183 3.114 -0.140) 6.924 4.314 ( 2.843 -0.531 -1.976) 3.503 4.352 ( -9.779 4.620 -1.541) 10.925 4.421 ( -7.009 2.216 4.878) 8.823 4.570 ( 0.146 -1.488 1.025) 1.813 4.591 ( 3.465 0.690 2.761) 4.484 4.646 ( 6.507 2.954 6.353) 9.562 4.756 ( 0.860 -0.830 3.098) 3.320 4.967 ( -4.949 -3.168 -6.164) 8.516 5.013 ( 0.075 -2.495 0.535) 2.552 5.083 ( -1.738 -2.378 0.577) 3.002 5.276 ( 2.403 0.690 -0.646) 2.582 5.317 ( -0.602 0.622 1.303) 1.564 5.438 ( 1.261 2.032 -1.549) 2.850 5.490 ( -0.555 1.359 6.009) 6.185 5.530 ( 0.231 -3.127 -8.903) 9.439 5.657 ( 5.774 -4.453 2.148) 7.601 5.825 ( -4.662 -2.532 4.544) 6.985 6.035 ( 3.504 -0.193 0.423) 3.535 6.177 ( -0.748 2.683 1.187) 3.028 6.208 ( 1.403 -0.158 -4.288) 4.515 6.231 ( 3.550 3.014 -1.496) 4.892 6.364 ( -0.567 -7.277 4.367) 8.506 6.409 ( -2.248 -5.478 -1.170) 6.036 6.451 ( -3.595 -0.972 -6.943) 7.879 6.572 ( 0.466 8.299 -0.487) 8.327 6.692 ( 2.933 4.371 2.734) 5.932 6.767 ( 4.546 3.592 0.644) 5.830 6.862 ( 4.770 -1.340 3.293) 5.949 6.952 ( -6.024 2.444 -0.911) 6.564 7.129 ( -0.116 1.178 -0.293) 1.219 7.272 ( 0.162 -6.066 -0.840) 6.126 7.364 ( 2.604 -3.625 2.659) 5.195 7.399 ( -0.721 0.109 4.674) 4.730 7.502 ( -0.783 -1.154 -4.385) 4.602 7.633 ( 1.816 -2.831 -1.459) 3.666 7.706 ( -1.764 -5.592 0.504) 5.885 7.836 ( 0.750 -2.702 -0.686) 2.886 7.964 ( 5.328 -5.539 -0.310) 7.692 7.996 ( -0.822 -0.337 -0.378) 0.965 8.073 ( -1.910 -0.510 -1.421) 2.435 8.247 ( 2.465 -2.352 -4.662) 5.775 8.255 ( 1.181 -0.774 -2.455) 2.832 8.308 ( -1.486 0.856 0.375) 1.756 8.542 ( 0.164 5.363 4.774) 7.182 8.634 ( 2.873 -5.544 2.102) 6.589 8.702 ( -7.900 5.836 -4.861) 10.959 8.826 ( -7.796 2.085 1.301) 8.174 8.953 ( 1.987 -6.716 -3.211) 7.705 9.200 ( -3.345 -3.181 -0.689) 4.667 9.342 ( -2.946 -7.673 4.622) 9.429 9.795 ( 1.445 -5.538 0.200) 5.727 9.928 ( 1.093 -3.578 3.802) 5.334 10.080 ( -0.408 -0.080 -5.144) 5.161 10.131 ( -2.584 -3.495 1.046) 4.470 10.285 ( -2.248 0.066 3.254) 3.956 10.439 ( 0.326 0.747 0.415) 0.915 10.634 ( 0.906 -5.229 2.384) 5.818 10.768 ( 3.906 -3.332 -1.080) 5.246 10.885 ( -1.921 1.498 -2.344) 3.381 10.941 ( -1.374 0.941 -6.488) 6.698 11.252 ( -4.801 5.777 5.499) 9.309 11.461 ( -3.384 -0.373 -0.165) 3.408 12.897 ( -11.776 -0.282 3.136) 12.190 12.950 ( -10.152 -2.213 0.245) 10.393 13.029 ( 9.558 3.088 -4.436) 10.980 13.200 ( 9.124 -2.098 -2.640) 9.727 13.890 ( -1.535 5.138 0.814) 5.423 13.966 ( -0.362 1.802 2.035) 2.742 14.245 ( 3.210 1.198 1.163) 3.619 14.319 ( 3.076 -0.036 -1.831) 3.580 15.971 ( -6.730 0.696 0.074) 6.766 16.068 ( -7.557 -1.747 0.068) 7.757 16.732 ( -0.056 0.851 -0.812) 1.178 16.737 ( 0.317 1.190 0.780) 1.458 16.970 ( -0.574 0.140 -1.780) 1.876 17.059 ( -1.576 -1.334 4.048) 4.544 17.132 ( 2.465 0.697 -1.470) 2.954 17.203 ( -0.421 -0.235 0.732) 0.876 17.525 ( 7.605 -0.938 -0.787) 7.703 17.646 ( 4.807 -3.672 -0.354) 6.060 18.563 ( 0.518 1.409 0.185) 1.512 18.589 ( 0.246 0.990 -0.328) 1.071 18.692 ( 2.797 0.904 0.206) 2.947 18.713 ( 3.471 0.178 -0.553) 3.520 19.316 ( -2.002 0.406 0.238) 2.057 19.348 ( -2.332 -0.276 0.080) 2.350 20.036 ( 0.323 -0.847 0.252) 0.941 20.078 ( -0.396 -1.783 0.186) 1.836 20.398 ( -2.556 2.368 0.276) 3.496 20.452 ( -2.483 0.991 -0.342) 2.695 22.149 ( 7.479 0.996 3.083) 8.151 22.526 ( 8.549 -12.999 -1.415) 15.622 24.729 ( 3.455 0.692 -0.241) 3.532 24.784 ( 1.728 -2.035 -2.771) 3.848 25.588 ( 0.491 -2.150 3.872) 4.457 25.848 ( 6.155 -9.788 -2.212) 11.772 26.380 ( 2.463 10.925 -1.164) 11.260 26.600 ( 7.408 3.795 0.713) 8.354 26.957 ( -13.144 7.461 -0.372) 15.118 27.067 ( -8.302 4.352 2.039) 9.593 31.734 ( -0.202 1.578 -0.069) 1.592 31.953 ( -3.038 -2.209 0.777) 3.836 32.086 ( 2.816 -4.884 2.351) 6.108 32.315 ( 2.084 -9.961 -2.275) 10.428 ======================= Grid point 87 (45/75) ======================= q-point: ( 0.43 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.893 8.570 -2.058) 9.276 1.967 ( 2.927 0.267 -5.260) 6.025 2.200 ( 2.879 2.051 -0.160) 3.538 2.225 ( 1.059 6.985 1.852) 7.304 2.618 ( -0.681 -1.905 3.937) 4.427 2.846 ( 6.510 0.087 -2.926) 7.138 2.987 ( -1.847 7.118 5.410) 9.130 3.283 ( 11.124 1.184 -2.848) 11.543 3.444 ( 0.016 9.370 -6.458) 11.380 3.526 ( -9.237 -4.544 0.488) 10.306 3.617 ( 0.762 -1.845 7.113) 7.388 3.669 ( 2.270 5.972 -6.432) 9.066 3.705 ( 3.356 4.255 -1.277) 5.568 4.002 ( 0.360 10.316 2.799) 10.695 4.085 ( -1.522 11.494 -2.649) 11.894 4.095 ( -4.325 1.934 -3.534) 5.910 4.263 ( 1.131 7.218 -0.006) 7.306 4.307 ( -0.563 1.622 2.330) 2.894 4.377 ( -2.422 -3.894 3.752) 5.925 4.524 ( -1.869 1.651 -2.739) 3.704 4.599 ( 0.640 -4.462 -2.405) 5.110 4.750 ( -4.602 3.102 5.438) 7.770 4.819 ( -4.729 1.327 -4.503) 6.664 4.929 ( 6.457 -4.235 6.791) 10.283 5.032 ( 1.524 -1.132 1.617) 2.494 5.070 ( 1.528 -1.015 -0.453) 1.890 5.296 ( 0.687 -1.886 -3.078) 3.675 5.343 ( -0.932 -0.026 -1.285) 1.587 5.421 ( 0.875 -12.752 -0.895) 12.813 5.494 ( 3.135 -3.997 6.035) 7.888 5.543 ( -1.035 -1.317 1.006) 1.954 5.748 ( -3.278 -1.448 0.515) 3.621 5.812 ( 0.207 -4.138 6.128) 7.397 6.041 ( 2.010 1.638 -7.967) 8.378 6.096 ( 0.313 5.329 -1.056) 5.441 6.216 ( 1.537 2.151 -0.931) 2.802 6.282 ( -1.708 -3.356 -6.714) 7.697 6.333 ( -2.455 -4.745 1.344) 5.509 6.399 ( 0.552 3.113 4.204) 5.261 6.478 ( 3.646 1.399 10.255) 10.974 6.551 ( 1.043 6.038 -1.357) 6.276 6.751 ( -0.868 5.258 1.413) 5.513 6.844 ( 0.676 1.779 5.290) 5.622 6.903 ( 0.197 -0.936 -0.456) 1.060 6.937 ( 0.574 -0.001 2.387) 2.455 7.143 ( 1.024 -0.424 0.566) 1.244 7.273 ( -1.276 -3.292 2.983) 4.622 7.338 ( -3.706 -5.002 1.051) 6.313 7.447 ( 2.668 -2.022 -4.712) 5.780 7.553 ( 7.268 -1.449 1.151) 7.500 7.610 ( -4.609 0.102 -0.857) 4.689 7.692 ( 0.498 -6.624 0.608) 6.671 7.810 ( -1.523 -5.133 -3.884) 6.615 7.931 ( -5.155 0.624 -0.532) 5.220 7.978 ( 2.335 -0.447 -6.566) 6.983 8.029 ( 0.455 -3.610 0.169) 3.642 8.148 ( -4.663 5.668 -6.855) 10.043 8.229 ( 2.190 1.122 -4.569) 5.190 8.464 ( 9.759 -2.027 0.601) 9.985 8.550 ( -1.320 4.069 -2.961) 5.202 8.644 ( 1.084 3.573 5.591) 6.723 8.689 ( 1.463 -2.007 -0.545) 2.543 8.711 ( -5.942 3.468 2.670) 7.380 8.973 ( 3.136 -8.855 -2.945) 9.845 9.144 ( -1.460 -4.124 -0.075) 4.376 9.282 ( -6.913 -5.853 2.356) 9.360 9.821 ( 1.097 -4.623 -0.009) 4.751 9.936 ( -1.700 -3.115 -0.948) 3.673 10.055 ( 1.363 -0.441 1.268) 1.913 10.103 ( -2.021 -4.899 2.174) 5.728 10.311 ( 0.262 -0.551 3.543) 3.596 10.454 ( 0.755 0.728 -0.279) 1.086 10.637 ( -2.335 -7.636 1.763) 8.177 10.789 ( 0.033 -2.429 -4.208) 4.859 10.853 ( 2.005 1.365 -1.774) 3.005 10.908 ( 2.616 2.237 -3.759) 5.097 11.225 ( -3.150 4.981 4.881) 7.652 11.392 ( -2.986 0.325 -0.011) 3.004 12.756 ( -6.765 -0.921 3.440) 7.645 12.807 ( -5.100 -3.046 0.713) 5.983 13.168 ( 9.353 4.265 -4.303) 11.144 13.282 ( 2.833 1.037 -3.777) 4.834 13.894 ( 0.659 2.733 1.565) 3.217 13.946 ( -3.485 1.219 1.546) 4.003 14.297 ( 0.992 1.366 1.124) 2.028 14.351 ( 1.835 0.455 -1.051) 2.163 15.896 ( -1.397 0.718 0.107) 1.574 15.951 ( -4.354 -0.963 -0.403) 4.477 16.724 ( -0.202 0.985 -0.391) 1.079 16.748 ( 0.413 0.761 -0.094) 0.871 16.954 ( -0.240 1.156 0.304) 1.220 17.068 ( -0.978 -0.385 2.368) 2.591 17.162 ( 1.467 -1.202 -0.310) 1.922 17.207 ( -0.192 -0.399 0.833) 0.944 17.627 ( 3.966 -2.361 -0.989) 4.720 17.691 ( 0.875 -3.806 -1.412) 4.153 18.573 ( 0.226 1.730 0.142) 1.751 18.588 ( 0.169 1.400 -0.402) 1.467 18.733 ( 1.144 1.111 0.342) 1.631 18.758 ( 1.683 0.247 -0.497) 1.772 19.292 ( -0.594 0.245 0.108) 0.652 19.312 ( -1.316 -0.200 -0.171) 1.342 20.043 ( -0.488 -1.156 0.963) 1.582 20.071 ( 0.071 -2.079 -0.153) 2.086 20.370 ( -0.885 2.227 0.388) 2.427 20.416 ( -0.801 0.963 -0.793) 1.482 22.290 ( 3.462 -1.066 4.280) 5.607 22.599 ( 1.861 -12.493 -2.966) 12.974 24.769 ( 0.419 1.059 -0.776) 1.378 24.816 ( 4.358 -2.299 -1.659) 5.199 25.626 ( -2.073 -3.145 5.657) 6.796 25.913 ( 3.976 -11.174 -3.628) 12.402 26.452 ( 6.679 12.306 -1.186) 14.052 26.696 ( -11.742 10.352 -2.757) 15.894 26.759 ( 8.789 3.003 1.804) 9.462 26.939 ( -9.573 3.508 3.306) 10.718 31.747 ( 1.078 0.832 1.073) 1.733 31.900 ( -2.241 -2.689 -1.068) 3.659 32.147 ( 0.072 -5.067 3.164) 5.975 32.321 ( 1.547 -10.868 -2.572) 11.275 ======================= Grid point 88 (46/75) ======================= q-point: (-0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 6.002 2.421 1.913) 6.749 1.820 ( -3.101 2.404 -8.275) 9.158 2.155 ( -3.990 6.833 -0.099) 7.913 2.314 ( 3.471 5.841 0.196) 6.798 2.579 ( -6.925 -2.323 2.407) 7.690 2.836 ( -3.973 2.434 0.005) 4.659 3.021 ( -6.301 6.259 6.647) 11.093 3.277 ( -3.257 2.275 -7.305) 8.316 3.356 ( -3.104 2.800 -0.242) 4.187 3.394 ( -4.499 -5.009 0.594) 6.759 3.638 ( 1.536 9.791 -5.571) 11.369 3.778 ( 3.322 1.479 4.181) 5.541 3.866 ( 12.166 2.424 5.322) 13.499 3.894 ( -2.030 11.460 -5.236) 12.762 3.946 ( -2.473 8.709 -7.576) 11.805 4.150 ( 3.183 -4.175 0.947) 5.335 4.317 ( 0.650 5.351 3.311) 6.326 4.352 ( 5.268 3.450 -0.170) 6.300 4.416 ( -1.732 -4.965 4.930) 7.208 4.493 ( -1.375 6.211 0.476) 6.380 4.540 ( -2.604 -1.570 -1.433) 3.361 4.646 ( -9.054 7.035 -4.002) 12.144 4.728 ( -2.320 1.220 2.698) 3.762 4.979 ( 1.370 -2.369 -1.045) 2.929 5.096 ( 4.510 0.514 3.638) 5.817 5.178 ( -4.910 -1.349 -3.840) 6.377 5.236 ( 4.414 -4.620 4.955) 8.086 5.260 ( -4.346 -13.571 0.984) 14.284 5.481 ( 2.484 -3.218 -3.223) 5.188 5.564 ( 0.206 -2.702 2.954) 4.009 5.601 ( 2.766 -11.324 0.343) 11.662 5.661 ( -0.850 4.222 -1.277) 4.492 5.870 ( -0.692 -2.575 4.629) 5.342 5.961 ( -5.094 -3.311 0.563) 6.102 6.107 ( 1.709 4.898 -1.552) 5.415 6.213 ( -4.419 2.485 0.508) 5.096 6.254 ( 4.400 1.200 -7.147) 8.478 6.332 ( 3.842 -3.698 0.269) 5.339 6.436 ( -0.868 9.421 2.670) 9.830 6.610 ( 1.564 1.691 7.070) 7.436 6.648 ( 2.264 1.755 3.062) 4.193 6.741 ( 6.545 3.232 0.018) 7.299 6.892 ( -3.112 0.281 5.824) 6.609 6.905 ( -0.879 0.471 0.435) 1.088 6.955 ( -0.003 -1.063 2.362) 2.591 7.135 ( -2.935 -0.304 -1.467) 3.295 7.232 ( -2.764 -1.836 -0.128) 3.321 7.334 ( -1.710 -2.645 2.025) 3.744 7.439 ( 0.311 -6.811 -3.353) 7.598 7.503 ( -2.975 -3.056 4.129) 5.936 7.643 ( 1.901 -3.370 -1.563) 4.173 7.717 ( 0.788 0.387 -1.733) 1.943 7.735 ( -0.814 0.134 -1.515) 1.725 7.858 ( -3.142 3.171 -11.050) 11.918 7.954 ( 2.224 -6.712 -2.669) 7.558 8.016 ( 0.693 -0.498 -3.721) 3.818 8.080 ( 1.838 0.433 2.747) 3.333 8.251 ( 3.602 2.293 -2.766) 5.088 8.437 ( -6.288 2.531 -1.485) 6.939 8.577 ( 0.956 -3.304 -3.243) 4.727 8.623 ( -3.306 2.704 3.404) 5.462 8.753 ( 6.865 3.346 -0.485) 7.652 8.772 ( 4.204 -1.347 2.900) 5.281 8.956 ( -0.567 -5.902 -3.864) 7.077 9.129 ( -3.072 -0.222 2.364) 3.883 9.242 ( 2.472 -7.227 1.405) 7.766 9.826 ( -1.258 -5.825 0.846) 6.019 9.884 ( -2.419 -2.863 -1.418) 4.007 10.083 ( -2.197 -5.857 1.005) 6.335 10.131 ( 3.436 -2.754 2.549) 5.088 10.353 ( 0.727 -1.515 3.891) 4.238 10.461 ( 0.960 2.825 -0.686) 3.062 10.598 ( -3.108 -7.943 1.134) 8.605 10.761 ( 1.123 -0.601 -4.249) 4.436 10.854 ( -0.001 1.699 -1.906) 2.554 10.929 ( 3.357 1.545 -3.111) 4.831 11.249 ( 0.361 4.036 5.089) 6.505 11.389 ( 3.001 0.903 -0.469) 3.169 12.730 ( 0.767 -0.878 2.695) 2.936 12.791 ( 2.367 -2.948 0.946) 3.898 13.235 ( -1.842 3.417 -3.478) 5.212 13.259 ( 3.052 2.349 -4.204) 5.702 13.880 ( -3.826 2.011 1.538) 4.588 13.940 ( 1.173 1.039 1.673) 2.292 14.297 ( -2.189 1.664 0.943) 2.907 14.362 ( 0.336 0.624 -0.867) 1.120 15.905 ( 1.484 0.255 0.223) 1.522 15.941 ( 4.511 -0.413 -0.516) 4.560 16.717 ( -0.366 0.944 0.003) 1.013 16.750 ( 0.341 0.306 -0.724) 0.857 16.963 ( -0.143 1.462 1.671) 2.225 17.074 ( 0.443 1.326 0.102) 1.402 17.170 ( -1.155 -2.226 1.008) 2.702 17.214 ( 0.334 -0.682 0.823) 1.120 17.620 ( -4.382 -2.850 -0.898) 5.304 17.665 ( -1.299 -3.532 -1.674) 4.119 18.571 ( -0.592 1.838 0.095) 1.933 18.588 ( 0.168 1.290 -0.351) 1.347 18.735 ( -1.251 1.077 0.354) 1.688 18.759 ( -0.967 0.413 -0.513) 1.170 19.297 ( 0.751 0.127 0.196) 0.786 19.305 ( 0.950 -0.096 -0.251) 0.987 20.036 ( -0.882 -0.862 0.705) 1.421 20.082 ( 0.853 -2.645 0.111) 2.781 20.373 ( 0.646 2.241 0.513) 2.388 20.410 ( 1.128 1.072 -0.929) 1.813 22.341 ( -3.944 -3.695 5.952) 8.039 22.550 ( -2.541 -10.270 -4.645) 11.554 24.743 ( -2.264 0.940 -0.495) 2.501 24.867 ( 2.637 -3.057 -2.095) 4.548 25.612 ( -5.229 -3.084 5.526) 8.209 25.922 ( 0.581 -10.464 -3.273) 10.979 26.502 ( -6.415 11.508 -1.370) 13.246 26.586 ( 8.274 12.147 -1.453) 14.769 26.785 ( -9.169 3.238 1.377) 9.821 26.966 ( 11.420 2.209 2.559) 11.910 31.791 ( 1.615 -0.489 2.144) 2.728 31.861 ( 0.169 -1.579 -2.137) 2.663 32.129 ( -5.111 -5.168 2.841) 7.804 32.334 ( 2.338 -10.682 -2.246) 11.163 ======================= Grid point 89 (47/75) ======================= q-point: (-0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -7.257 5.852 -6.402) 11.309 1.994 ( 8.134 -3.389 -3.346) 9.426 2.057 ( -8.549 12.178 1.922) 15.003 2.281 ( -8.712 4.409 2.466) 10.071 2.488 ( -1.663 -2.569 0.018) 3.060 2.772 ( -0.747 -0.575 -3.517) 3.641 2.927 ( -8.729 6.609 8.855) 14.081 3.102 ( -9.413 0.120 -2.391) 9.713 3.255 ( -4.866 3.122 0.470) 5.800 3.393 ( -1.644 -3.165 0.517) 3.604 3.605 ( -0.664 10.882 -5.356) 12.147 3.762 ( -2.399 3.540 3.231) 5.359 3.843 ( 1.262 5.891 -3.942) 7.200 4.020 ( 9.612 8.187 0.843) 12.654 4.086 ( 3.014 -1.886 -1.048) 3.707 4.210 ( -10.093 -7.301 -5.257) 13.520 4.243 ( 2.728 2.551 4.005) 5.476 4.347 ( -1.891 12.808 3.339) 13.370 4.398 ( -0.652 2.951 0.176) 3.027 4.491 ( 1.744 -0.924 -0.051) 1.974 4.587 ( 3.343 5.461 1.688) 6.622 4.617 ( 3.646 3.017 5.545) 7.290 4.706 ( 0.868 0.047 2.276) 2.437 4.995 ( -1.311 -1.302 -0.004) 1.847 5.078 ( -1.667 7.275 0.401) 7.474 5.108 ( -6.737 -8.189 -2.598) 10.918 5.253 ( 5.122 -3.739 2.729) 6.904 5.365 ( 1.884 -4.181 -6.163) 7.682 5.425 ( 2.457 -9.280 -0.449) 9.610 5.544 ( -3.727 -0.462 -3.816) 5.354 5.641 ( 1.697 2.031 1.922) 3.271 5.687 ( 2.409 -2.384 3.727) 5.038 5.918 ( 2.294 -5.367 5.881) 8.286 5.945 ( -3.484 -0.463 4.661) 5.837 6.051 ( -3.457 4.306 -7.243) 9.108 6.123 ( -3.444 -0.296 2.208) 4.101 6.267 ( 3.319 -1.778 -4.486) 5.856 6.427 ( 3.194 -2.306 -2.773) 4.817 6.461 ( -1.092 5.392 1.415) 5.680 6.523 ( -4.581 -4.545 -1.667) 6.664 6.736 ( -9.953 2.197 1.720) 10.337 6.771 ( -1.635 -1.085 6.283) 6.583 6.888 ( 5.539 8.693 -7.962) 13.024 6.952 ( -3.045 2.698 3.326) 5.255 7.009 ( 8.459 -2.816 -1.049) 8.977 7.046 ( -1.395 3.245 1.965) 4.041 7.214 ( -0.060 -5.307 2.813) 6.007 7.354 ( 2.814 -0.949 2.447) 3.848 7.392 ( -1.114 -9.873 -3.510) 10.537 7.525 ( -5.391 3.136 -1.426) 6.397 7.591 ( -2.919 4.632 0.859) 5.542 7.694 ( -1.136 -2.826 0.247) 3.056 7.715 ( -0.056 -4.128 -3.924) 5.696 7.796 ( 4.220 -1.376 2.559) 5.123 7.897 ( -2.141 -2.854 -1.501) 3.870 8.034 ( -3.350 -4.791 -1.505) 6.037 8.148 ( 3.369 -0.392 0.468) 3.424 8.256 ( 2.503 1.699 -2.293) 3.796 8.411 ( 3.855 3.182 -0.761) 5.056 8.545 ( 0.865 -3.886 -0.438) 4.005 8.644 ( 0.932 -0.836 1.656) 2.076 8.784 ( 0.833 1.465 -2.094) 2.688 8.893 ( 7.919 0.976 -4.957) 9.393 8.951 ( 2.956 -4.303 -0.065) 5.221 9.128 ( 0.064 1.133 2.057) 2.349 9.305 ( -0.144 -7.551 4.956) 9.033 9.776 ( -4.601 -3.982 -0.098) 6.085 9.833 ( -2.633 -4.889 1.321) 5.708 10.061 ( -0.041 -5.332 -0.182) 5.336 10.183 ( 0.683 -6.627 -0.448) 6.677 10.415 ( 1.508 -0.460 3.618) 3.946 10.488 ( 1.483 2.459 1.168) 3.100 10.559 ( -1.847 -5.325 0.946) 5.716 10.708 ( -2.853 0.629 -2.957) 4.157 10.845 ( 2.142 2.925 -3.599) 5.108 10.989 ( 6.872 -0.275 -3.286) 7.622 11.313 ( -0.114 3.710 5.884) 6.956 11.458 ( 4.318 1.312 -1.323) 4.702 12.822 ( 6.489 -0.038 0.488) 6.507 12.897 ( 7.742 -1.804 0.603) 7.972 13.150 ( -2.482 1.294 -2.437) 3.712 13.215 ( -4.251 -0.336 -2.512) 4.949 13.856 ( 0.213 3.964 0.881) 4.066 13.961 ( -1.066 1.160 2.103) 2.628 14.241 ( -4.483 2.051 0.551) 4.960 14.345 ( -1.055 0.443 -1.237) 1.685 15.977 ( 6.198 0.299 0.096) 6.206 16.061 ( 7.905 -1.074 0.063) 7.978 16.711 ( -0.338 0.916 0.188) 0.995 16.749 ( 0.268 -0.017 -0.589) 0.647 16.973 ( -0.345 1.368 1.146) 1.818 17.088 ( 1.556 3.070 -1.531) 3.767 17.145 ( -2.229 -2.081 1.468) 3.384 17.238 ( 1.258 -1.444 1.223) 2.273 17.485 ( -8.422 -1.235 -1.099) 8.583 17.596 ( -5.262 -3.615 -0.428) 6.399 18.558 ( -0.817 1.613 0.168) 1.816 18.585 ( -0.182 0.716 -0.312) 0.802 18.697 ( -3.034 0.875 0.177) 3.162 18.720 ( -2.537 0.519 -0.524) 2.643 19.323 ( 1.904 0.175 0.214) 1.924 19.335 ( 2.037 -0.064 0.116) 2.042 20.031 ( -0.101 -0.475 0.202) 0.526 20.093 ( -0.093 -2.873 0.238) 2.885 20.402 ( 2.127 2.299 0.359) 3.153 20.440 ( 2.854 1.284 -0.441) 3.160 22.255 ( -11.214 -4.512 5.596) 13.320 22.431 ( -5.915 -9.145 -3.932) 11.580 24.691 ( -2.577 1.264 -0.325) 2.889 24.870 ( 0.840 -4.104 -3.037) 5.175 25.564 ( -4.511 -1.814 3.752) 6.142 25.866 ( -3.870 -8.405 -1.668) 9.402 26.419 ( -1.581 8.731 -1.757) 9.045 26.624 ( -7.672 3.393 1.007) 8.449 26.738 ( 6.778 14.330 0.825) 15.873 27.216 ( 13.175 -0.587 1.078) 13.232 31.819 ( 1.597 -0.486 -1.800) 2.455 31.892 ( 2.353 -1.860 2.868) 4.150 32.036 ( -6.932 -3.365 1.464) 7.844 32.347 ( 0.933 -10.488 -1.723) 10.669 ======================= Grid point 90 (48/75) ======================= q-point: (-0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -0.748 4.086 4.088) 5.828 1.862 ( -16.778 12.278 7.922) 22.248 2.018 ( 2.578 -3.737 -8.206) 9.378 2.161 ( 0.756 8.879 -9.383) 12.940 2.530 ( 1.930 -5.424 8.071) 9.914 2.731 ( 3.468 -3.072 -7.237) 8.593 2.886 ( -6.850 9.650 5.954) 13.247 2.924 ( -6.607 3.157 -1.965) 7.582 3.205 ( -2.443 3.213 2.308) 4.650 3.342 ( -5.411 -5.845 2.655) 8.396 3.499 ( -1.286 14.369 -9.839) 17.462 3.760 ( -6.335 1.478 6.593) 9.262 3.854 ( 0.497 4.180 1.133) 4.359 3.958 ( -6.497 -6.194 -3.737) 9.723 4.113 ( 3.241 -0.414 -0.572) 3.317 4.217 ( -0.365 4.363 6.687) 7.993 4.247 ( 8.669 6.128 0.874) 10.652 4.320 ( -7.711 2.848 2.412) 8.567 4.493 ( 1.638 -1.316 4.539) 5.002 4.530 ( 3.947 3.269 -2.576) 5.736 4.613 ( 2.458 17.020 3.295) 17.510 4.749 ( 6.802 3.402 -1.048) 7.678 4.830 ( -6.945 -3.460 8.393) 11.430 4.902 ( 1.122 3.548 -5.412) 6.568 5.021 ( -1.879 -2.973 -2.665) 4.413 5.057 ( 2.475 -3.088 -0.940) 4.068 5.286 ( 3.584 2.754 -6.786) 8.154 5.382 ( 2.989 -4.946 3.908) 6.977 5.466 ( -0.314 0.479 -0.204) 0.608 5.511 ( 5.061 -6.868 -3.162) 9.099 5.679 ( -5.761 -2.677 -1.056) 6.440 5.771 ( 5.719 3.165 5.757) 8.710 5.830 ( -5.920 3.403 -4.219) 8.027 5.966 ( -2.209 4.001 1.618) 4.849 6.014 ( 1.360 -5.462 -0.256) 5.634 6.128 ( 0.086 -5.231 4.931) 7.189 6.177 ( -15.426 -2.490 -4.697) 16.316 6.334 ( 4.082 -2.175 -0.966) 4.725 6.436 ( -1.435 1.657 -2.337) 3.204 6.459 ( -1.990 -3.429 -2.829) 4.870 6.640 ( -1.643 0.084 -1.592) 2.290 6.793 ( -3.954 7.651 -6.993) 11.093 6.823 ( 2.917 -2.597 3.000) 4.925 6.968 ( -3.631 -0.877 1.139) 3.905 7.009 ( 5.857 3.337 -0.065) 6.741 7.206 ( 5.149 1.007 -7.527) 9.176 7.250 ( 2.126 -6.642 -3.152) 7.653 7.307 ( -3.385 -1.555 0.388) 3.745 7.392 ( -1.957 2.530 6.153) 6.935 7.469 ( 2.526 -1.734 1.420) 3.377 7.559 ( -5.469 4.136 4.783) 8.360 7.645 ( -0.862 2.554 -0.484) 2.738 7.725 ( 0.459 -4.618 1.280) 4.814 7.874 ( -3.697 -5.567 3.866) 7.720 7.901 ( -0.194 -2.319 0.459) 2.372 7.940 ( 1.716 -7.166 1.410) 7.502 8.192 ( 0.592 -0.439 -0.120) 0.747 8.320 ( 5.859 -0.167 -3.391) 6.771 8.454 ( 0.866 3.055 0.518) 3.217 8.578 ( 0.949 -6.313 -0.756) 6.428 8.661 ( 1.938 -2.797 -4.031) 5.275 8.847 ( 7.685 4.664 -0.568) 9.007 8.943 ( 3.453 0.083 -4.918) 6.010 9.053 ( 7.155 -3.530 1.563) 8.130 9.132 ( -2.891 -1.418 2.619) 4.150 9.322 ( -3.529 -7.670 4.889) 9.756 9.707 ( -2.803 -1.516 2.109) 3.821 9.814 ( -2.263 -5.244 4.086) 7.023 10.083 ( 2.337 -5.167 0.126) 5.672 10.153 ( -1.602 -10.570 -3.027) 11.111 10.442 ( -0.601 0.337 -1.334) 1.502 10.526 ( -1.164 -1.741 7.484) 7.771 10.563 ( 0.789 -1.666 -0.061) 1.845 10.629 ( -1.799 2.255 -3.114) 4.245 10.864 ( 4.678 4.425 -4.892) 8.087 11.095 ( 7.788 -0.844 -3.976) 8.785 11.340 ( -3.432 3.783 6.051) 7.919 11.489 ( 0.472 1.516 -1.539) 2.211 12.907 ( 3.237 1.117 -2.794) 4.420 12.987 ( -3.000 -1.893 -0.590) 3.596 13.125 ( 3.595 0.651 0.126) 3.656 13.183 ( 5.272 -2.178 -1.153) 5.819 13.879 ( -0.033 3.492 1.021) 3.638 13.949 ( -1.912 2.520 2.511) 4.040 14.161 ( -4.240 2.210 0.417) 4.800 14.306 ( -1.040 0.193 -2.173) 2.417 16.109 ( 7.128 -0.278 0.441) 7.147 16.192 ( 5.159 -1.723 0.420) 5.455 16.710 ( -0.046 1.009 0.332) 1.064 16.749 ( 0.168 -0.289 -0.234) 0.408 16.979 ( 0.795 1.524 -0.049) 1.720 17.066 ( -2.132 1.300 -1.309) 2.820 17.157 ( 2.096 0.724 0.533) 2.281 17.274 ( 0.131 -0.991 -1.290) 1.632 17.339 ( -4.437 -0.122 1.875) 4.818 17.476 ( -7.611 -3.059 0.692) 8.232 18.549 ( -0.325 1.267 0.419) 1.373 18.576 ( -0.511 0.136 -0.128) 0.543 18.642 ( -2.681 0.680 -0.049) 2.766 18.671 ( -1.828 0.345 -0.746) 2.004 19.360 ( 1.417 0.238 0.455) 1.507 19.371 ( 1.579 -0.050 0.365) 1.621 20.037 ( 0.679 -0.628 -0.020) 0.925 20.081 ( -1.254 -2.614 0.064) 2.900 20.455 ( 3.005 2.441 0.480) 3.901 20.491 ( 2.487 1.596 -0.097) 2.957 22.081 ( -12.962 -2.863 5.840) 14.502 22.273 ( -5.582 -8.003 -4.259) 10.646 24.656 ( -1.169 1.447 0.324) 1.889 24.854 ( 1.616 -4.164 -4.528) 6.360 25.534 ( -2.245 -1.434 2.864) 3.911 25.769 ( -4.566 -6.757 -1.228) 8.247 26.392 ( 0.397 7.127 -1.769) 7.354 26.503 ( -5.542 5.028 -0.303) 7.489 26.878 ( 4.369 13.886 6.126) 15.794 27.419 ( 9.011 -3.737 -3.083) 10.230 31.841 ( 3.477 0.879 -2.778) 4.536 31.911 ( -7.331 -2.533 3.225) 8.400 31.979 ( 2.059 -1.433 2.822) 3.776 32.330 ( -0.445 -10.187 -2.549) 10.511 ======================= Grid point 91 (49/75) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 2.185 4.865 7.481) 9.187 1.777 ( 1.186 -10.120 0.370) 10.196 1.950 ( -4.507 10.397 1.547) 11.437 2.143 ( -1.164 -6.657 -5.266) 8.567 2.681 ( 3.633 6.083 2.791) 7.615 2.776 ( 0.935 -0.400 -3.143) 3.303 3.001 ( 1.863 2.153 1.068) 3.041 3.026 ( 3.944 5.435 3.199) 7.439 3.111 ( -2.972 2.463 0.655) 3.915 3.317 ( -0.409 -6.457 4.929) 8.134 3.482 ( -1.955 8.062 -5.806) 10.126 3.704 ( -3.000 -0.510 1.833) 3.553 3.807 ( 1.279 -0.856 -8.133) 8.277 3.917 ( 3.827 -3.579 -5.978) 7.950 4.240 ( 3.543 4.564 -0.115) 5.779 4.266 ( -2.343 1.917 3.327) 4.498 4.357 ( -2.768 2.820 10.524) 11.241 4.412 ( 0.048 0.900 2.199) 2.376 4.552 ( -1.690 -1.533 4.825) 5.337 4.612 ( 0.433 -3.975 -4.541) 6.050 4.638 ( 2.327 0.392 -3.095) 3.892 4.688 ( 1.135 -1.104 0.816) 1.781 4.850 ( 0.459 3.316 2.230) 4.022 5.017 ( 2.297 -4.608 3.910) 6.465 5.065 ( -1.067 0.461 -3.815) 3.989 5.134 ( -7.996 -2.823 -4.115) 9.426 5.246 ( -5.413 8.002 0.567) 9.678 5.373 ( -4.072 -3.794 -5.112) 7.557 5.434 ( -1.373 5.421 0.497) 5.614 5.557 ( 6.494 -2.511 3.908) 7.984 5.597 ( 2.061 7.893 3.371) 8.827 5.775 ( -4.462 -2.817 -6.244) 8.175 5.851 ( -1.826 0.889 0.008) 2.031 5.900 ( -3.996 0.460 -2.435) 4.702 6.063 ( 7.421 4.255 6.879) 10.977 6.078 ( 3.159 3.366 3.086) 5.553 6.146 ( -0.212 3.018 2.026) 3.641 6.260 ( -0.883 -8.716 -2.379) 9.078 6.344 ( 2.273 -2.262 -1.566) 3.569 6.445 ( 5.180 -10.496 -0.178) 11.706 6.593 ( 4.491 6.715 -2.459) 8.444 6.703 ( -4.388 -1.138 -4.777) 6.585 6.916 ( 0.690 5.739 1.162) 5.896 6.999 ( 2.139 0.262 2.603) 3.379 7.032 ( -8.295 -1.249 -3.903) 9.252 7.105 ( -0.244 -2.450 1.708) 2.997 7.263 ( -2.033 5.534 -3.301) 6.757 7.347 ( -0.650 -0.316 3.977) 4.042 7.389 ( -3.518 -0.098 -2.868) 4.540 7.475 ( -0.112 -0.886 -2.483) 2.639 7.617 ( 0.599 1.527 1.564) 2.266 7.668 ( 2.644 -2.702 -1.392) 4.028 7.725 ( 1.313 -1.134 4.496) 4.819 7.760 ( -1.104 -2.056 0.439) 2.374 7.791 ( 0.775 0.276 4.087) 4.169 7.892 ( 4.439 -7.094 1.793) 8.558 8.170 ( 0.113 3.083 -5.164) 6.015 8.298 ( 2.919 -7.834 -8.128) 11.660 8.431 ( 1.656 0.202 -3.231) 3.636 8.465 ( 0.230 -1.570 -3.697) 4.023 8.702 ( -2.262 4.484 1.872) 5.360 8.817 ( -1.858 -5.202 -0.489) 5.546 8.990 ( -3.329 0.804 1.612) 3.785 9.043 ( 3.535 -3.482 -0.115) 4.963 9.229 ( 0.585 3.602 4.333) 5.665 9.267 ( 0.258 0.547 3.679) 3.728 9.660 ( -1.058 -0.590 0.445) 1.291 9.744 ( -3.430 -6.199 -0.536) 7.105 9.949 ( 2.763 0.026 5.275) 5.954 10.029 ( 2.078 -5.388 4.867) 7.552 10.407 ( -3.245 1.837 0.053) 3.729 10.463 ( -2.533 -3.186 1.975) 4.524 10.586 ( -0.006 2.012 -2.135) 2.934 10.624 ( 1.046 -1.456 -1.201) 2.158 11.023 ( 4.224 4.974 -5.115) 8.291 11.110 ( 3.685 -3.038 -6.500) 8.066 11.407 ( -3.835 3.939 4.695) 7.230 11.467 ( -2.213 -1.585 2.272) 3.546 12.907 ( 0.184 0.856 -1.479) 1.718 12.927 ( 2.074 -0.807 -2.293) 3.195 13.196 ( -0.311 0.713 -0.077) 0.782 13.218 ( 0.334 -1.337 -0.870) 1.629 13.936 ( -1.355 2.827 3.822) 4.944 13.979 ( -1.330 -0.906 4.042) 4.350 14.181 ( 0.704 3.657 -2.405) 4.433 14.250 ( 0.923 -2.492 -3.254) 4.201 16.189 ( 0.315 -0.317 0.880) 0.987 16.195 ( -1.436 -0.894 0.894) 1.913 16.733 ( 0.314 0.577 0.218) 0.692 16.742 ( 0.278 -0.329 -0.096) 0.442 17.028 ( -0.171 0.761 -0.927) 1.212 17.032 ( -0.194 0.400 -1.165) 1.247 17.208 ( -2.436 2.279 -0.412) 3.361 17.245 ( -0.603 -0.419 -1.727) 1.876 17.329 ( -0.046 -0.210 2.503) 2.512 17.359 ( 3.499 -2.310 1.318) 4.395 18.569 ( -0.140 0.395 0.634) 0.760 18.572 ( 0.223 0.052 0.442) 0.498 18.627 ( 0.024 0.698 -0.534) 0.879 18.640 ( 0.022 -0.511 -0.889) 1.026 19.381 ( -0.521 0.418 0.788) 1.033 19.389 ( -0.179 -0.310 0.730) 0.813 20.025 ( -0.098 -0.311 -0.263) 0.419 20.034 ( 0.507 -1.100 -0.541) 1.326 20.533 ( -0.148 1.143 0.260) 1.181 20.540 ( 0.183 0.480 0.026) 0.515 21.984 ( -1.308 2.956 1.245) 3.463 22.073 ( 1.794 -5.499 -1.888) 6.084 24.691 ( -0.564 2.446 0.948) 2.683 24.755 ( -0.116 -3.572 -1.288) 3.799 25.526 ( 0.013 1.216 0.231) 1.238 25.589 ( 0.509 -4.665 -1.497) 4.925 26.512 ( 0.770 3.211 -0.327) 3.318 26.523 ( -0.677 2.347 -0.803) 2.572 27.209 ( -0.200 8.377 3.943) 9.261 27.355 ( -0.488 -5.591 -1.420) 5.789 31.853 ( -2.646 2.629 1.530) 4.032 31.909 ( 1.432 -1.630 1.370) 2.566 31.997 ( 0.053 2.395 -0.153) 2.401 32.113 ( 1.091 -7.598 -2.678) 8.130 ======================= Grid point 92 (50/75) ======================= q-point: ( 0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 5.194 2.315 7.099) 9.096 1.841 ( 5.611 -1.801 -2.875) 6.557 1.982 ( 6.123 4.599 3.172) 8.289 2.109 ( 2.963 -4.030 -4.947) 7.035 2.597 ( -5.008 6.503 -2.734) 8.651 2.716 ( -3.243 -3.559 -0.171) 4.818 3.086 ( 2.694 6.777 2.036) 7.572 3.154 ( -0.088 6.717 6.696) 9.485 3.213 ( 8.269 -2.691 1.360) 8.802 3.323 ( -0.807 -7.543 -1.730) 7.781 3.516 ( 11.835 9.813 -4.122) 15.917 3.682 ( 2.066 -0.576 -2.421) 3.235 3.828 ( 9.467 1.505 -6.346) 11.496 3.974 ( 5.957 -8.212 0.483) 10.157 4.237 ( -4.249 5.566 1.325) 7.126 4.309 ( -1.335 1.982 -4.517) 5.110 4.384 ( -1.596 -0.582 3.634) 4.012 4.420 ( 1.788 2.869 3.622) 4.954 4.486 ( -1.188 -0.291 3.837) 4.027 4.611 ( 4.192 -3.255 0.566) 5.338 4.697 ( -9.544 1.547 1.723) 9.821 4.727 ( -1.053 -0.491 -1.289) 1.736 4.787 ( -11.379 6.330 7.855) 15.207 4.869 ( -3.080 2.348 -7.302) 8.265 4.944 ( -0.214 -4.721 -0.348) 4.739 5.030 ( -5.194 -8.322 2.428) 10.106 5.308 ( 6.018 5.821 3.121) 8.936 5.374 ( -4.281 5.511 0.013) 6.978 5.435 ( 5.427 -3.943 3.112) 7.395 5.535 ( -5.148 -4.216 -6.512) 9.310 5.610 ( -3.400 5.102 -0.471) 6.149 5.673 ( -5.480 -1.762 -0.158) 5.759 5.823 ( 0.299 5.426 1.292) 5.586 5.883 ( 2.603 -0.088 3.997) 4.771 6.110 ( 1.006 -0.458 2.884) 3.089 6.194 ( -0.558 -7.118 -4.247) 8.308 6.238 ( 5.641 3.876 0.350) 6.853 6.334 ( 7.284 -3.340 -2.249) 8.323 6.399 ( 7.159 5.542 -2.199) 9.317 6.510 ( -3.053 -1.548 -3.593) 4.962 6.576 ( 4.453 0.480 -7.841) 9.030 6.629 ( 1.091 -3.405 2.145) 4.170 6.835 ( -4.778 8.154 0.860) 9.490 6.954 ( -4.186 7.286 1.236) 8.494 7.018 ( 2.117 -3.106 3.964) 5.463 7.183 ( 2.685 -6.485 5.347) 8.824 7.226 ( -1.682 3.373 -1.048) 3.912 7.309 ( -0.495 5.787 -6.289) 8.560 7.352 ( -1.007 -2.722 1.880) 3.458 7.466 ( -2.487 -3.971 3.073) 5.603 7.583 ( -3.525 -1.916 -4.401) 5.955 7.631 ( 0.311 -5.841 0.220) 5.853 7.760 ( 0.924 0.084 0.479) 1.044 7.800 ( 2.381 -2.533 0.099) 3.478 7.917 ( 4.516 0.195 7.377) 8.652 8.004 ( 4.921 -5.451 2.621) 7.797 8.117 ( 1.739 5.083 -7.006) 8.829 8.255 ( 1.590 -6.184 -8.138) 10.344 8.425 ( 0.534 0.867 -4.247) 4.367 8.458 ( 2.551 -2.879 -1.571) 4.155 8.654 ( -4.372 4.893 3.355) 7.370 8.779 ( -2.845 -7.007 1.284) 7.671 8.948 ( -1.640 5.292 -1.464) 5.731 9.045 ( -4.989 -2.119 0.116) 5.422 9.205 ( -2.561 0.156 2.251) 3.413 9.253 ( -6.542 -1.921 2.170) 7.155 9.676 ( 1.971 -0.587 1.063) 2.315 9.750 ( 2.735 -5.862 1.484) 6.637 10.055 ( 2.287 0.806 4.439) 5.059 10.102 ( 1.846 -2.970 0.919) 3.616 10.347 ( -3.469 3.341 1.483) 5.039 10.441 ( -1.318 -4.410 1.562) 4.860 10.566 ( -0.423 2.885 -0.640) 2.985 10.640 ( 1.682 -3.721 -1.037) 4.213 11.000 ( -0.871 3.292 -4.995) 6.045 11.051 ( -1.664 -1.331 -7.217) 7.525 11.391 ( -3.441 4.521 4.944) 7.531 11.463 ( -1.591 -2.286 2.508) 3.747 12.953 ( 6.798 2.015 -2.531) 7.528 12.996 ( 7.785 -2.090 -2.313) 8.386 13.097 ( -9.878 0.630 0.662) 9.920 13.117 ( -9.807 -1.247 0.146) 9.887 13.970 ( 0.358 2.342 3.375) 4.123 13.993 ( -1.423 0.566 3.010) 3.377 14.205 ( 3.786 2.400 -1.455) 4.713 14.258 ( 3.235 -2.189 -3.004) 4.927 16.119 ( -6.768 0.802 0.634) 6.845 16.147 ( -5.545 -1.757 0.690) 5.858 16.742 ( 0.411 0.497 0.002) 0.645 16.747 ( 0.474 -0.003 -0.307) 0.565 17.003 ( -0.989 1.178 -0.294) 1.566 17.030 ( -0.377 -1.170 0.047) 1.230 17.166 ( -1.151 2.327 -0.040) 2.597 17.204 ( -1.612 -1.252 -0.237) 2.054 17.413 ( 6.130 1.801 0.421) 6.403 17.467 ( 6.316 -3.215 0.280) 7.092 18.575 ( 0.360 0.774 0.294) 0.903 18.586 ( 0.606 -0.226 0.285) 0.706 18.651 ( 2.789 0.495 -0.293) 2.848 18.659 ( 2.769 -0.244 -0.670) 2.859 19.363 ( -2.077 0.611 0.636) 2.257 19.376 ( -1.909 -0.538 0.610) 2.076 20.025 ( 0.326 0.152 -0.261) 0.444 20.041 ( 0.523 -1.380 -0.257) 1.498 20.498 ( -3.213 1.553 0.095) 3.570 20.515 ( -2.731 -0.041 0.021) 2.731 22.050 ( 6.650 3.884 0.731) 7.736 22.162 ( 8.710 -6.912 -1.433) 11.212 24.699 ( 0.490 1.517 1.083) 1.927 24.743 ( 0.222 -2.555 -0.940) 2.731 25.544 ( 1.659 1.482 0.150) 2.230 25.615 ( 3.591 -5.270 -1.474) 6.546 26.521 ( 1.649 4.427 -0.762) 4.785 26.552 ( 3.580 1.388 -0.144) 3.842 27.198 ( -5.586 5.027 4.247) 8.632 27.270 ( -6.615 -1.903 -1.882) 7.136 31.815 ( -2.454 3.921 0.839) 4.701 31.918 ( -2.796 -5.671 2.339) 6.742 32.010 ( 2.552 4.004 -1.076) 4.869 32.125 ( 2.329 -6.858 -2.030) 7.522 ======================= Grid point 93 (51/75) ======================= q-point: ( 0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -0.685 4.975 -3.861) 6.335 1.899 ( 4.060 -1.242 -2.568) 4.962 2.168 ( 6.876 2.105 1.762) 7.404 2.195 ( 10.215 0.060 0.940) 10.258 2.572 ( 2.672 5.299 0.333) 5.944 2.708 ( 1.756 -5.437 0.487) 5.735 3.109 ( 4.039 3.392 -3.893) 6.555 3.127 ( -3.422 4.650 3.140) 6.572 3.358 ( 5.326 -3.927 1.157) 6.718 3.387 ( 2.557 -7.185 6.863) 10.259 3.712 ( 12.009 7.441 -5.065) 15.008 3.737 ( 7.222 4.031 -5.680) 10.034 3.892 ( -1.333 4.292 -5.835) 7.365 4.104 ( 4.818 -1.912 0.642) 5.223 4.119 ( -5.830 -4.082 1.762) 7.332 4.189 ( -1.464 -1.831 -5.602) 6.073 4.360 ( -0.494 7.149 2.124) 7.474 4.476 ( -4.626 -0.702 1.688) 4.974 4.522 ( -5.416 6.937 1.415) 8.914 4.593 ( -3.310 2.296 3.563) 5.378 4.648 ( 8.632 3.328 4.007) 10.082 4.720 ( -0.567 3.244 0.413) 3.319 4.731 ( -3.315 3.361 -0.243) 4.727 4.824 ( 2.488 -5.241 3.615) 6.836 4.905 ( -7.187 -5.975 -0.714) 9.374 4.992 ( -0.409 -10.876 2.303) 11.125 5.254 ( -4.951 3.074 -0.816) 5.884 5.356 ( -3.417 -4.781 -4.575) 7.447 5.471 ( -0.122 1.944 4.418) 4.828 5.493 ( -4.319 3.148 1.111) 5.459 5.573 ( 2.555 0.109 1.244) 2.844 5.614 ( -0.795 3.793 3.146) 4.991 5.839 ( -2.199 2.938 2.815) 4.625 5.974 ( 2.110 -6.511 1.229) 6.954 6.158 ( 2.201 -1.139 0.327) 2.500 6.211 ( 2.272 -4.643 -3.009) 5.981 6.275 ( -2.413 2.883 -4.494) 5.859 6.306 ( 0.585 2.908 -5.416) 6.175 6.346 ( 3.181 0.241 -0.604) 3.246 6.379 ( -3.868 -3.932 -6.869) 8.809 6.726 ( 10.548 3.292 1.090) 11.103 6.785 ( 5.952 -0.793 4.240) 7.351 6.858 ( 2.330 3.555 3.005) 5.205 6.882 ( -2.583 4.469 1.210) 5.301 7.086 ( -7.304 3.170 0.200) 7.965 7.127 ( -0.991 6.049 5.197) 8.036 7.202 ( -0.478 -2.448 -3.940) 4.663 7.260 ( -5.547 -4.058 2.928) 7.471 7.402 ( 3.759 2.039 4.089) 5.917 7.482 ( 0.248 -6.014 3.581) 7.004 7.502 ( 2.347 2.743 -4.441) 5.723 7.673 ( -0.343 -4.457 0.665) 4.519 7.780 ( 0.420 -2.395 -0.308) 2.451 7.834 ( 4.392 -5.241 -3.040) 7.483 7.991 ( -2.985 0.571 4.365) 5.319 8.087 ( 0.540 -5.886 -1.924) 6.216 8.142 ( 8.353 2.970 -4.715) 10.042 8.223 ( 4.213 -2.728 -7.095) 8.691 8.381 ( 0.109 5.039 -3.687) 6.244 8.502 ( 4.440 -5.989 -3.066) 8.061 8.649 ( -0.446 4.155 5.009) 6.524 8.747 ( -2.962 -5.277 2.453) 6.529 8.848 ( -6.351 5.960 -2.420) 9.040 8.926 ( -6.002 0.127 -0.891) 6.069 9.138 ( -5.267 -1.082 0.715) 5.424 9.200 ( -1.691 -5.675 1.095) 6.022 9.735 ( 2.440 0.556 1.352) 2.844 9.813 ( 0.973 -5.963 3.246) 6.859 10.088 ( -0.257 0.542 -1.757) 1.856 10.098 ( -0.242 -0.408 -3.305) 3.339 10.328 ( -2.566 4.438 5.510) 7.526 10.446 ( -1.625 -4.693 3.877) 6.301 10.561 ( -0.099 2.785 0.456) 2.823 10.668 ( 2.506 -5.604 -0.949) 6.211 10.929 ( -0.724 2.071 -5.050) 5.505 10.955 ( -0.339 -0.233 -6.587) 6.599 11.363 ( -4.922 4.493 4.692) 8.151 11.434 ( -4.211 -2.290 2.430) 5.374 12.894 ( -11.411 0.199 1.109) 11.466 12.910 ( -11.137 -1.385 0.597) 11.239 13.095 ( 10.214 2.992 -2.867) 11.023 13.152 ( 10.291 -2.463 -2.476) 10.867 13.973 ( -2.526 2.474 1.819) 3.976 13.993 ( -1.866 0.465 2.461) 3.123 14.271 ( 3.833 1.369 -0.232) 4.076 14.302 ( 3.688 -1.368 -1.559) 4.231 15.994 ( -6.557 1.459 0.262) 6.723 16.030 ( -6.906 -1.856 0.253) 7.155 16.745 ( 0.457 0.588 -0.905) 1.172 16.753 ( 0.494 0.035 -0.470) 0.682 16.988 ( -0.976 1.684 1.151) 2.262 17.028 ( -1.168 -1.833 2.932) 3.649 17.159 ( 0.688 1.592 -1.074) 2.040 17.189 ( -0.071 -1.073 -0.234) 1.101 17.527 ( 6.055 1.176 -0.714) 6.209 17.573 ( 5.067 -3.047 -0.654) 5.949 18.588 ( 0.795 0.881 0.066) 1.188 18.598 ( 0.641 -0.059 -0.073) 0.648 18.707 ( 3.164 0.533 -0.032) 3.209 18.714 ( 3.375 -0.135 -0.333) 3.394 19.326 ( -2.232 0.583 0.359) 2.334 19.339 ( -2.380 -0.561 0.315) 2.466 20.028 ( 0.052 0.140 0.063) 0.162 20.043 ( -0.254 -1.302 0.084) 1.329 20.441 ( -2.632 1.571 -0.054) 3.066 20.461 ( -2.642 -0.254 -0.186) 2.661 22.195 ( 7.497 3.611 0.456) 8.334 22.311 ( 7.958 -7.659 -1.375) 11.130 24.734 ( 2.132 0.377 1.067) 2.414 24.752 ( 1.187 -1.235 0.036) 1.714 25.582 ( 1.980 1.872 0.334) 2.745 25.672 ( 3.957 -6.614 -1.847) 7.925 26.568 ( 4.291 6.426 -0.578) 7.749 26.639 ( 5.848 -0.456 0.336) 5.876 27.078 ( -10.490 3.883 0.565) 11.200 27.116 ( -8.725 0.277 1.309) 8.827 31.787 ( -1.359 3.495 0.684) 3.812 31.877 ( -3.104 -4.698 1.314) 5.782 32.054 ( 2.704 1.910 -0.511) 3.350 32.143 ( 1.388 -6.336 -1.464) 6.649 ======================= Grid point 94 (52/75) ======================= q-point: ( 0.43 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.835 7.523 -3.438) 8.313 1.909 ( 0.368 -5.293 -4.442) 6.919 2.283 ( 4.683 5.347 -0.808) 7.154 2.343 ( 5.937 1.418 -2.630) 6.647 2.616 ( -2.044 3.671 4.864) 6.427 2.765 ( 2.389 -7.660 0.915) 8.076 3.138 ( 2.413 6.520 3.953) 7.997 3.246 ( 9.031 -3.683 0.137) 9.754 3.386 ( -5.444 -1.345 3.175) 6.444 3.445 ( -2.443 -5.612 0.959) 6.196 3.753 ( 1.518 3.553 -2.667) 4.695 3.774 ( 0.272 5.950 -3.430) 6.873 3.857 ( 7.676 9.978 -4.318) 13.309 4.057 ( -1.300 -0.321 -0.464) 1.417 4.139 ( -0.681 0.138 -8.057) 8.087 4.187 ( 3.083 -9.025 1.275) 9.622 4.329 ( -4.332 6.651 -1.701) 8.117 4.415 ( -3.327 3.468 0.115) 4.807 4.504 ( -5.097 5.167 -2.140) 7.567 4.545 ( -2.260 0.255 -1.459) 2.702 4.582 ( 1.787 10.125 5.815) 11.811 4.777 ( -1.976 -1.121 -1.125) 2.535 4.779 ( 4.210 -1.744 0.138) 4.559 4.888 ( 2.591 0.469 7.722) 8.159 4.919 ( 0.765 -6.004 4.016) 7.263 4.988 ( -0.459 -13.258 2.446) 13.489 5.179 ( -4.534 0.385 -4.163) 6.167 5.251 ( -0.524 -5.279 0.743) 5.357 5.400 ( -3.081 5.833 -6.394) 9.187 5.501 ( -3.993 -0.837 0.648) 4.131 5.591 ( -0.646 4.539 5.464) 7.133 5.702 ( 1.890 -4.903 7.274) 8.974 5.789 ( -1.269 7.173 0.647) 7.313 6.012 ( 0.103 -7.739 0.799) 7.781 6.132 ( -2.720 -1.236 -6.443) 7.102 6.151 ( 1.200 -5.374 -7.553) 9.347 6.202 ( 2.417 0.660 -0.839) 2.643 6.254 ( 2.657 -2.006 -2.371) 4.087 6.472 ( 5.441 3.596 7.525) 9.958 6.515 ( 5.539 0.324 9.045) 10.612 6.804 ( -1.814 10.857 0.805) 11.037 6.850 ( -0.489 3.640 0.793) 3.757 6.898 ( 2.742 0.203 0.470) 2.789 6.929 ( 0.514 -0.860 1.999) 2.236 6.984 ( -4.361 7.959 2.939) 9.540 7.113 ( -1.856 -2.892 -2.173) 4.066 7.181 ( 0.543 -4.080 3.270) 5.257 7.201 ( -5.034 -5.056 5.320) 8.900 7.434 ( 0.360 1.924 -3.279) 3.819 7.517 ( -1.703 -4.722 -1.933) 5.379 7.597 ( 4.460 2.207 3.120) 5.873 7.631 ( -1.094 -0.207 0.726) 1.329 7.762 ( 0.687 0.968 -3.251) 3.460 7.890 ( 4.958 -6.991 -4.557) 9.706 7.928 ( -4.760 1.408 -1.268) 5.123 8.010 ( -3.033 -2.236 -4.809) 6.110 8.233 ( 3.510 0.526 -1.365) 3.803 8.245 ( 2.301 0.039 -2.096) 3.113 8.419 ( 6.188 2.443 -3.446) 7.493 8.533 ( 1.887 -5.824 -5.072) 7.950 8.682 ( 0.643 4.175 -1.601) 4.518 8.723 ( 0.618 0.976 4.346) 4.497 8.788 ( -3.551 1.648 0.093) 3.916 8.831 ( -0.252 -3.924 0.878) 4.029 9.080 ( -1.305 -0.480 -0.125) 1.396 9.147 ( -4.676 -5.754 0.607) 7.439 9.776 ( 0.205 0.634 1.728) 1.852 9.841 ( -1.192 -5.008 2.937) 5.927 10.044 ( -0.244 0.896 -3.883) 3.993 10.067 ( 0.080 -0.824 -2.086) 2.244 10.339 ( -2.317 3.266 5.429) 6.746 10.444 ( -2.854 -5.801 4.033) 7.620 10.567 ( 0.650 4.764 -0.350) 4.821 10.694 ( 1.727 -5.971 -2.462) 6.686 10.897 ( 1.896 2.127 -3.599) 4.590 10.927 ( 2.622 -0.467 -4.109) 4.897 11.320 ( -3.685 3.834 4.018) 6.665 11.379 ( -3.463 -1.663 2.260) 4.457 12.743 ( -6.164 -0.099 1.975) 6.473 12.757 ( -5.770 -1.528 1.215) 6.091 13.241 ( 8.382 2.701 -3.789) 9.587 13.281 ( 6.047 -1.028 -3.638) 7.131 13.945 ( -2.303 1.760 2.117) 3.589 13.962 ( -3.492 0.094 2.085) 4.068 14.324 ( 1.640 1.202 0.306) 2.056 14.346 ( 2.019 -0.786 -0.605) 2.249 15.913 ( -2.149 0.871 0.070) 2.319 15.931 ( -3.367 -0.911 -0.069) 3.489 16.742 ( 0.229 0.755 -1.017) 1.287 16.754 ( 0.419 -0.268 -1.068) 1.178 16.992 ( -0.852 2.445 2.917) 3.901 17.044 ( -1.101 -2.096 4.311) 4.919 17.161 ( 0.940 1.067 -1.835) 2.321 17.189 ( 0.425 -1.245 -0.631) 1.459 17.601 ( 2.674 -0.042 -1.219) 2.939 17.625 ( 1.584 -2.288 -1.454) 3.140 18.600 ( 0.388 0.814 0.037) 0.903 18.606 ( 0.282 0.284 -0.135) 0.422 18.751 ( 1.400 0.641 0.059) 1.541 18.759 ( 1.610 -0.147 -0.235) 1.634 19.299 ( -0.908 0.335 0.170) 0.983 19.306 ( -1.202 -0.337 0.081) 1.251 20.027 ( -0.365 -0.217 0.485) 0.644 20.037 ( -0.402 -1.110 0.201) 1.198 20.409 ( -0.765 1.401 -0.058) 1.597 20.425 ( -0.819 -0.122 -0.429) 0.933 22.301 ( 3.127 2.333 0.641) 3.954 22.397 ( 2.902 -6.925 -1.786) 7.718 24.772 ( 0.255 0.094 0.761) 0.808 24.786 ( 1.831 -1.025 1.007) 2.328 25.611 ( 0.395 2.034 0.734) 2.198 25.713 ( 2.761 -7.517 -2.493) 8.387 26.667 ( 6.846 7.723 -0.050) 10.321 26.767 ( 6.627 -1.825 1.275) 6.991 26.883 ( -9.295 6.450 -0.679) 11.334 26.965 ( -9.130 -1.268 1.268) 9.304 31.781 ( -0.242 2.367 1.031) 2.593 31.840 ( -1.702 -3.012 0.378) 3.480 32.088 ( 0.876 -0.109 0.132) 0.892 32.147 ( 0.908 -5.653 -1.613) 5.948 ======================= Grid point 95 (53/75) ======================= q-point: (-0.43 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.582 1.392 -1.674) 2.253 1.827 ( -0.950 -1.317 -5.423) 5.661 2.330 ( 3.457 7.004 -3.042) 8.382 2.394 ( 3.939 1.063 -4.253) 5.894 2.565 ( -10.563 4.242 7.113) 13.423 2.759 ( -4.580 -9.758 1.857) 10.938 3.151 ( -10.651 4.412 3.686) 12.103 3.227 ( -8.587 -3.280 0.787) 9.226 3.358 ( 0.465 2.595 2.015) 3.318 3.405 ( -0.119 0.067 0.178) 0.224 3.838 ( 2.334 5.495 -4.621) 7.550 3.864 ( 7.912 2.754 -0.938) 8.430 3.888 ( 9.889 4.789 -0.340) 10.993 3.998 ( 2.113 -0.855 -9.092) 9.373 4.102 ( -0.449 2.788 1.911) 3.410 4.168 ( -6.104 8.786 -5.437) 12.001 4.259 ( 1.677 -9.171 3.676) 10.021 4.311 ( -7.469 -4.360 -1.986) 8.874 4.446 ( 2.039 4.258 -1.005) 4.827 4.528 ( 1.010 -1.129 -1.067) 1.853 4.705 ( -1.236 9.698 8.192) 12.755 4.742 ( -4.173 4.481 0.470) 6.141 4.821 ( -0.260 4.333 0.434) 4.362 4.893 ( -4.761 -4.632 1.373) 6.783 4.966 ( -1.717 -11.410 1.962) 11.704 5.015 ( 3.357 -7.216 4.595) 9.190 5.137 ( 3.576 3.729 0.894) 5.244 5.238 ( 1.046 -2.120 -5.423) 5.916 5.375 ( -0.570 -5.063 -3.961) 6.454 5.404 ( 4.725 -5.105 -0.903) 7.014 5.644 ( 0.802 7.918 5.072) 9.438 5.773 ( -1.077 -0.405 4.560) 4.703 5.853 ( 3.060 5.306 2.440) 6.593 5.927 ( -4.163 0.709 -2.194) 4.759 6.115 ( 1.097 -6.182 -3.204) 7.049 6.145 ( -0.194 -6.692 0.975) 6.765 6.245 ( 3.135 1.152 -2.391) 4.108 6.283 ( 4.262 -0.902 -4.309) 6.128 6.621 ( -1.412 2.887 6.752) 7.478 6.653 ( 1.532 0.156 7.310) 7.471 6.751 ( -3.707 10.867 0.862) 11.514 6.856 ( 1.322 4.269 -0.450) 4.492 6.913 ( -1.879 1.030 1.576) 2.660 6.924 ( -2.566 0.526 3.691) 4.526 6.973 ( 2.192 3.967 0.984) 4.638 7.105 ( 2.225 -6.122 -2.804) 7.092 7.169 ( -5.473 0.208 6.340) 8.378 7.234 ( -0.295 -4.848 2.657) 5.536 7.352 ( -4.564 -0.636 -3.507) 5.791 7.408 ( -2.720 -4.519 -0.570) 5.305 7.628 ( 0.436 1.382 2.404) 2.807 7.701 ( 1.763 -4.576 1.665) 5.179 7.752 ( 0.476 3.154 -2.621) 4.129 7.833 ( -1.804 -2.087 -2.980) 4.061 7.906 ( 0.977 -0.613 -5.468) 5.589 7.950 ( 3.299 -4.115 -7.098) 8.843 8.194 ( -3.211 8.161 -2.659) 9.165 8.297 ( 1.482 0.169 0.146) 1.499 8.451 ( 0.107 0.267 -2.477) 2.493 8.497 ( 2.131 -3.378 -3.478) 5.296 8.670 ( -5.255 1.366 0.275) 5.436 8.725 ( 1.649 -3.554 0.692) 3.979 8.814 ( 3.397 2.204 1.133) 4.205 8.861 ( 2.143 -2.737 -0.656) 3.537 9.097 ( 2.049 -2.472 -0.778) 3.303 9.116 ( 2.189 -2.129 1.677) 3.484 9.779 ( -2.004 0.915 2.732) 3.510 9.831 ( -2.230 -3.000 1.886) 4.187 10.003 ( -1.095 -0.185 -2.852) 3.060 10.058 ( 0.448 -3.918 -2.471) 4.654 10.363 ( -0.416 2.085 5.211) 5.628 10.437 ( -1.854 -4.945 4.306) 6.814 10.576 ( 1.217 5.403 -1.148) 5.656 10.693 ( 1.326 -5.106 -2.934) 6.037 10.903 ( 1.938 2.497 -3.184) 4.487 10.940 ( 2.594 -0.747 -3.724) 4.599 11.331 ( 0.534 3.418 4.020) 5.304 11.383 ( 1.716 -1.451 2.131) 3.097 12.721 ( 1.895 0.178 1.612) 2.494 12.741 ( 2.574 -1.729 1.238) 3.339 13.281 ( -1.828 1.302 -3.670) 4.302 13.291 ( 0.482 0.459 -3.618) 3.679 13.923 ( -2.005 1.840 2.151) 3.469 13.948 ( -0.276 -0.395 2.177) 2.230 14.331 ( -1.196 1.564 0.236) 1.983 14.358 ( -0.151 -0.877 -0.475) 1.008 15.915 ( 2.130 0.663 0.090) 2.233 15.930 ( 3.463 -0.669 -0.088) 3.528 16.735 ( -0.004 0.779 -0.741) 1.075 16.749 ( 0.249 -0.459 -1.135) 1.249 17.008 ( -0.899 2.862 3.383) 4.522 17.070 ( -0.770 -2.340 4.175) 4.848 17.156 ( 0.614 1.341 -2.073) 2.544 17.191 ( 0.651 -1.531 -0.751) 1.826 17.587 ( -3.037 -0.312 -1.262) 3.304 17.605 ( -1.842 -1.999 -1.591) 3.149 18.599 ( -0.570 0.830 0.031) 1.007 18.605 ( -0.308 0.271 -0.129) 0.430 18.754 ( -1.169 0.670 0.049) 1.348 18.762 ( -1.018 -0.130 -0.224) 1.050 19.299 ( 0.739 0.142 0.204) 0.779 19.302 ( 0.822 -0.143 0.049) 0.836 20.025 ( -0.236 -0.022 0.422) 0.484 20.039 ( 0.314 -1.383 0.263) 1.443 20.411 ( 0.899 1.247 -0.002) 1.537 20.423 ( 1.055 0.084 -0.485) 1.164 22.312 ( -2.986 0.973 1.062) 3.315 22.382 ( -2.221 -5.696 -2.206) 6.499 24.764 ( -2.054 1.414 0.962) 2.673 24.807 ( -0.584 -2.593 0.813) 2.780 25.607 ( -1.480 2.638 0.565) 3.077 25.720 ( 0.598 -7.982 -2.347) 8.341 26.698 ( -7.576 6.767 -0.365) 10.165 26.766 ( -3.454 1.770 1.760) 4.262 26.854 ( 3.889 5.550 -0.640) 6.807 26.959 ( 9.669 -2.939 1.074) 10.163 31.796 ( 0.414 0.994 1.394) 1.762 31.827 ( 0.177 -1.727 0.028) 1.736 32.079 ( -1.677 0.600 -0.086) 1.783 32.153 ( 1.248 -6.293 -1.408) 6.568 ======================= Grid point 96 (54/75) ======================= q-point: (-0.29 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -5.861 6.850 -3.169) 9.556 1.841 ( 0.397 -9.230 -1.716) 9.396 2.334 ( -12.847 4.510 2.851) 13.911 2.370 ( 3.886 8.094 -6.757) 11.237 2.420 ( -6.558 1.904 5.690) 8.889 2.679 ( -3.677 -9.948 0.758) 10.633 3.004 ( -4.430 0.836 -0.612) 4.549 3.054 ( -6.485 -3.096 -2.180) 7.509 3.360 ( -3.896 6.227 4.053) 8.389 3.405 ( -2.517 2.853 2.809) 4.729 3.811 ( 1.781 7.323 -5.289) 9.207 3.861 ( -4.342 3.541 -1.396) 5.774 3.934 ( -3.992 1.223 -6.420) 7.658 4.009 ( -7.315 -5.690 -5.557) 10.806 4.085 ( 3.992 3.081 -0.114) 5.044 4.158 ( 6.544 0.905 2.657) 7.121 4.294 ( 6.660 2.740 2.676) 7.683 4.380 ( 6.538 -6.485 1.750) 9.373 4.474 ( -2.233 3.109 2.015) 4.326 4.544 ( 4.440 5.220 2.641) 7.344 4.572 ( -10.459 -1.247 0.250) 10.536 4.703 ( 0.229 1.137 2.008) 2.319 4.844 ( 1.690 1.799 2.069) 3.220 4.871 ( -2.400 -2.650 2.218) 4.207 4.980 ( -0.132 -1.778 3.064) 3.545 5.107 ( 3.289 -8.688 1.740) 9.452 5.210 ( 0.708 -0.214 -5.979) 6.025 5.240 ( 6.438 -3.167 -2.232) 7.514 5.382 ( 5.152 6.154 -0.209) 8.029 5.548 ( 5.158 -7.653 6.172) 11.102 5.672 ( -3.051 12.439 0.016) 12.808 5.779 ( 1.504 3.245 2.576) 4.408 5.857 ( -1.513 -0.169 0.881) 1.758 5.956 ( 0.809 -3.549 6.795) 7.709 6.065 ( -2.218 -0.230 -1.178) 2.522 6.135 ( 1.649 -1.445 -5.567) 5.984 6.222 ( -2.026 2.264 -4.099) 5.102 6.324 ( 2.961 -5.921 -4.845) 8.204 6.517 ( -12.241 3.232 -4.023) 13.285 6.576 ( -5.420 1.164 -3.662) 6.644 6.730 ( -6.528 3.199 3.432) 8.039 6.832 ( -4.025 5.613 4.327) 8.151 6.873 ( -3.002 -6.951 -0.600) 7.595 6.980 ( 3.772 -1.676 1.073) 4.265 7.029 ( -3.254 0.152 -0.261) 3.268 7.094 ( 3.643 -1.964 0.462) 4.164 7.176 ( -0.320 4.674 5.099) 6.925 7.229 ( 4.748 -3.518 1.652) 6.136 7.347 ( 3.851 1.165 2.013) 4.499 7.474 ( 5.370 -8.288 2.980) 10.316 7.662 ( -1.203 3.831 3.997) 5.666 7.703 ( -4.215 5.179 -2.434) 7.107 7.719 ( -1.311 -1.470 1.279) 2.349 7.761 ( -0.990 0.458 -3.530) 3.695 7.877 ( -1.509 -1.531 -2.466) 3.272 7.907 ( -2.244 -4.741 -5.395) 7.525 8.153 ( 1.547 2.512 -1.251) 3.204 8.256 ( 0.324 -4.137 -4.115) 5.845 8.468 ( 2.407 1.302 -3.207) 4.216 8.492 ( 0.614 -0.615 -1.616) 1.835 8.627 ( 0.800 3.323 0.735) 3.496 8.777 ( 2.639 -6.855 2.984) 7.929 8.882 ( 4.257 1.312 -0.953) 4.555 8.915 ( 5.271 -0.186 -2.389) 5.790 9.146 ( 1.449 0.060 1.025) 1.776 9.162 ( 0.730 -3.195 1.950) 3.813 9.768 ( -2.654 2.317 3.621) 5.052 9.802 ( -2.805 0.305 1.633) 3.260 9.953 ( -1.685 -3.499 -0.568) 3.925 10.007 ( -2.669 -7.815 -3.583) 9.002 10.417 ( 0.304 1.194 4.536) 4.700 10.460 ( -1.242 -2.747 5.161) 5.977 10.591 ( 1.491 4.528 -1.277) 4.936 10.678 ( -0.584 -3.291 -1.913) 3.851 10.914 ( 4.198 3.260 -5.001) 7.298 10.968 ( 6.071 -1.777 -5.230) 8.208 11.394 ( 0.853 3.681 4.542) 5.908 11.453 ( 2.598 -1.695 1.998) 3.689 12.830 ( 8.095 0.868 0.177) 8.143 12.858 ( 8.495 -1.720 0.325) 8.673 13.177 ( -4.905 1.249 -2.205) 5.521 13.201 ( -5.856 -0.957 -2.138) 6.307 13.929 ( 0.140 2.746 1.743) 3.256 13.967 ( -0.528 -0.766 2.352) 2.530 14.288 ( -3.175 2.379 -0.409) 3.989 14.332 ( -1.758 -1.536 -1.039) 2.555 15.996 ( 6.175 1.407 0.276) 6.339 16.030 ( 6.852 -1.698 0.245) 7.063 16.728 ( -0.036 0.749 -0.388) 0.844 16.743 ( 0.115 -0.548 -0.705) 0.900 17.020 ( -0.758 3.015 2.040) 3.718 17.088 ( -1.099 -3.178 2.105) 3.967 17.153 ( 1.389 2.864 -1.152) 3.385 17.204 ( 1.354 -1.957 -0.145) 2.384 17.484 ( -6.467 1.094 -0.914) 6.622 17.526 ( -5.318 -2.815 -0.802) 6.071 18.584 ( -1.032 0.831 0.071) 1.327 18.593 ( -0.846 -0.021 -0.093) 0.852 18.714 ( -2.995 0.674 -0.072) 3.071 18.723 ( -2.764 -0.171 -0.283) 2.784 19.327 ( 1.903 0.227 0.354) 1.949 19.332 ( 1.956 -0.195 0.320) 1.991 20.027 ( 0.064 0.230 0.055) 0.245 20.046 ( -0.006 -1.589 0.095) 1.592 20.442 ( 2.551 1.354 -0.040) 2.889 20.455 ( 2.820 0.067 -0.204) 2.828 22.218 ( -8.168 0.724 1.211) 8.289 22.280 ( -6.313 -5.145 -2.127) 8.417 24.727 ( -2.564 2.312 0.900) 3.568 24.789 ( -1.488 -3.499 0.217) 3.808 25.575 ( -2.190 2.932 0.128) 3.662 25.687 ( -2.038 -7.534 -1.691) 7.986 26.584 ( -4.353 6.126 -0.672) 7.545 26.657 ( -6.224 -0.744 0.330) 6.277 26.996 ( 8.001 9.995 0.987) 12.841 27.155 ( 9.882 -5.194 1.021) 11.210 31.820 ( 1.425 0.623 0.366) 1.597 31.847 ( 0.831 -1.936 1.667) 2.687 32.039 ( -2.005 3.180 -0.728) 3.830 32.154 ( 0.166 -7.604 -1.282) 7.713 ======================= Grid point 97 (55/75) ======================= q-point: (-0.14 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -3.953 8.045 3.039) 9.465 1.799 ( -2.734 -12.807 -0.482) 13.104 2.094 ( -13.409 9.130 3.114) 16.518 2.256 ( -5.372 -5.335 -4.967) 9.055 2.511 ( 8.007 8.509 2.431) 11.934 2.687 ( 5.041 -5.065 -1.002) 7.216 2.956 ( 0.433 2.289 -0.838) 2.476 3.015 ( 0.002 -0.581 2.108) 2.186 3.285 ( -11.837 4.083 1.884) 12.662 3.332 ( -3.297 4.070 0.304) 5.247 3.667 ( -10.120 0.378 -7.854) 12.816 3.749 ( -5.059 -2.365 2.412) 6.083 3.861 ( -1.418 1.463 -1.501) 2.531 3.903 ( 3.326 -0.714 -4.820) 5.900 4.172 ( 4.560 7.534 0.277) 8.811 4.285 ( -0.206 3.866 7.686) 8.606 4.345 ( -3.194 -2.446 -3.960) 5.645 4.383 ( 1.069 -6.480 4.370) 7.889 4.437 ( -0.631 8.096 1.448) 8.249 4.553 ( 3.940 0.089 1.893) 4.372 4.729 ( 6.015 -2.116 -3.985) 7.520 4.763 ( 0.995 -3.256 -1.983) 3.940 4.789 ( -5.277 2.025 3.478) 6.636 4.914 ( 2.350 -5.736 5.680) 8.407 5.028 ( 4.561 3.193 -0.950) 5.648 5.160 ( 1.208 -9.459 -1.250) 9.618 5.224 ( 5.222 9.432 2.160) 10.996 5.350 ( 9.647 -4.124 -0.676) 10.513 5.469 ( 0.486 7.092 2.096) 7.411 5.594 ( -3.017 7.897 -0.040) 8.454 5.614 ( -8.355 2.611 0.282) 8.758 5.817 ( 3.737 0.660 0.579) 3.839 5.868 ( 1.416 -4.671 -3.863) 6.225 5.954 ( -5.299 -4.850 3.875) 8.162 6.023 ( -3.337 6.805 -1.328) 7.695 6.097 ( -2.383 5.531 0.808) 6.077 6.161 ( -8.346 -2.318 -0.795) 8.698 6.241 ( 3.682 -6.290 1.770) 7.500 6.352 ( 0.224 -2.126 -6.429) 6.775 6.441 ( -3.571 -5.493 -3.858) 7.603 6.612 ( -4.072 4.042 -2.719) 6.349 6.793 ( -2.007 -9.680 -3.808) 10.594 6.861 ( 1.423 6.501 4.433) 7.996 6.968 ( -0.796 0.612 -1.544) 1.841 7.057 ( 1.956 0.691 2.696) 3.402 7.137 ( 1.013 -4.765 -0.886) 4.952 7.270 ( 3.130 3.485 5.420) 7.164 7.354 ( 0.548 -1.047 4.217) 4.380 7.467 ( 6.775 3.965 0.201) 7.852 7.485 ( -9.739 10.582 -6.048) 15.601 7.581 ( 3.915 -5.224 0.485) 6.546 7.671 ( -2.417 4.532 0.588) 5.170 7.702 ( -4.599 -2.262 3.159) 6.020 7.748 ( -3.262 -3.323 0.480) 4.681 7.790 ( 0.986 -2.866 0.631) 3.096 7.839 ( -0.143 -7.104 -1.738) 7.315 8.185 ( 2.765 1.455 -3.054) 4.369 8.283 ( 6.092 -5.752 -5.913) 10.255 8.455 ( 0.224 -0.794 -3.911) 3.997 8.489 ( 1.217 -1.421 -3.097) 3.618 8.681 ( 1.674 5.775 2.434) 6.486 8.837 ( 0.472 -6.519 1.222) 6.650 8.962 ( 5.676 1.214 -1.334) 5.955 8.993 ( 3.608 -1.413 -0.151) 3.877 9.148 ( -1.052 3.090 3.998) 5.161 9.216 ( 2.325 -3.101 2.229) 4.471 9.716 ( -3.876 2.973 -1.001) 4.986 9.794 ( -2.795 0.430 5.515) 6.198 9.919 ( -2.429 -7.639 -1.959) 8.252 9.959 ( 0.560 -6.146 3.668) 7.179 10.441 ( -1.432 0.827 2.196) 2.749 10.478 ( -2.373 -2.363 4.675) 5.750 10.595 ( 0.923 2.731 -2.013) 3.517 10.641 ( -0.905 -1.175 -2.010) 2.498 10.965 ( 6.908 4.813 -5.664) 10.147 11.051 ( 8.063 -3.191 -5.642) 10.345 11.426 ( -2.481 3.895 4.606) 6.522 11.487 ( -1.205 -1.661 1.917) 2.808 12.930 ( 1.654 1.170 -2.188) 2.982 12.956 ( -0.438 -1.289 -1.752) 2.219 13.136 ( 3.552 0.468 0.130) 3.585 13.150 ( 4.284 -1.020 -0.303) 4.414 13.940 ( -1.613 2.314 2.488) 3.761 13.971 ( -1.658 -0.432 3.249) 3.673 14.221 ( -2.623 3.346 -1.544) 4.523 14.284 ( -1.402 -2.239 -2.233) 3.459 16.118 ( 5.835 1.103 0.680) 5.977 16.152 ( 5.010 -1.944 0.657) 5.414 16.728 ( 0.189 0.685 -0.055) 0.712 16.740 ( 0.111 -0.532 -0.201) 0.579 17.024 ( 0.130 2.454 0.071) 2.459 17.067 ( -1.603 -1.290 -0.650) 2.158 17.190 ( 2.824 2.319 -0.026) 3.655 17.240 ( 2.656 -2.239 -0.241) 3.483 17.358 ( -6.352 1.925 0.617) 6.666 17.411 ( -6.555 -2.984 0.363) 7.211 18.569 ( -0.613 0.626 0.292) 0.923 18.577 ( -0.792 -0.130 0.152) 0.816 18.657 ( -2.609 0.748 -0.307) 2.732 18.670 ( -2.290 -0.381 -0.526) 2.380 19.365 ( 1.400 0.234 0.634) 1.554 19.369 ( 1.431 -0.144 0.612) 1.563 20.027 ( 0.108 -0.102 -0.244) 0.286 20.039 ( -0.440 -1.307 -0.270) 1.405 20.497 ( 3.115 1.401 0.098) 3.417 20.510 ( 2.834 0.167 0.014) 2.839 22.069 ( -8.452 1.516 1.410) 8.702 22.138 ( -5.869 -4.925 -2.109) 7.947 24.699 ( -1.394 2.736 0.840) 3.183 24.769 ( -0.433 -3.808 -0.691) 3.894 25.539 ( -1.552 2.120 0.042) 2.627 25.625 ( -2.511 -5.962 -1.404) 6.620 26.524 ( -1.604 4.658 -0.679) 4.973 26.567 ( -3.559 0.656 -0.322) 3.634 27.133 ( 4.779 10.272 2.648) 11.634 27.310 ( 6.067 -6.712 -0.161) 9.049 31.857 ( 2.176 0.570 -0.248) 2.263 31.874 ( -0.729 -1.197 3.175) 3.471 32.003 ( -0.597 3.981 -1.027) 4.154 32.134 ( -0.524 -8.116 -1.827) 8.335 ======================= Grid point 126 (56/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -3.056 0.000 -5.851) 6.600 1.269 ( 3.056 0.000 5.851) 6.600 1.619 ( 14.567 0.000 -9.103) 17.177 1.619 ( -14.567 0.000 9.103) 17.177 2.327 ( 3.812 0.000 -29.819) 30.062 2.327 ( -3.812 0.000 29.819) 30.062 2.909 ( 12.094 0.000 -9.739) 15.528 2.909 ( -12.094 0.000 9.739) 15.528 3.076 ( -5.097 0.000 -3.516) 6.192 3.076 ( 5.097 0.000 3.516) 6.192 3.393 ( 0.988 0.000 -10.543) 10.589 3.393 ( -0.988 0.000 10.543) 10.589 3.651 ( -0.568 0.000 -1.736) 1.827 3.651 ( 0.568 0.000 1.736) 1.827 4.138 ( 1.620 0.000 -2.768) 3.207 4.138 ( -1.620 0.000 2.768) 3.207 4.294 ( -0.284 0.000 -2.276) 2.294 4.294 ( 0.284 0.000 2.276) 2.294 4.381 ( -2.247 0.000 -11.186) 11.409 4.381 ( 2.247 0.000 11.186) 11.409 4.801 ( 1.512 0.000 -1.412) 2.068 4.801 ( -1.512 0.000 1.412) 2.068 4.989 ( 9.556 0.000 -10.660) 14.316 4.989 ( -9.556 0.000 10.660) 14.316 5.179 ( -7.439 0.000 1.699) 7.630 5.179 ( 7.439 0.000 -1.699) 7.630 5.330 ( 5.852 0.000 -6.843) 9.004 5.330 ( -5.852 0.000 6.843) 9.004 5.411 ( -8.909 0.000 1.466) 9.029 5.411 ( 8.909 0.000 -1.466) 9.029 5.690 ( 7.693 0.000 -3.791) 8.576 5.690 ( -7.693 0.000 3.791) 8.576 5.750 ( -7.629 0.000 -7.399) 10.628 5.750 ( 7.629 0.000 7.399) 10.628 6.022 ( -8.511 0.000 -1.203) 8.596 6.022 ( 8.511 0.000 1.203) 8.596 6.192 ( -9.696 0.000 -5.365) 11.081 6.192 ( 9.696 0.000 5.365) 11.081 6.597 ( -1.144 0.000 -3.489) 3.672 6.597 ( 1.144 0.000 3.489) 3.672 6.621 ( 2.863 0.000 -5.109) 5.856 6.621 ( -2.863 0.000 5.109) 5.856 6.938 ( 3.685 0.000 -5.014) 6.223 6.938 ( -3.685 0.000 5.014) 6.223 6.999 ( -12.376 0.000 -1.889) 12.520 6.999 ( 12.376 0.000 1.889) 12.520 7.260 ( 1.603 0.000 -1.531) 2.216 7.260 ( -1.603 0.000 1.531) 2.216 7.473 ( -1.631 0.000 -2.204) 2.742 7.473 ( 1.631 0.000 2.204) 2.742 7.730 ( -2.425 0.000 -4.239) 4.883 7.730 ( 2.425 0.000 4.239) 4.883 8.027 ( -5.973 0.000 1.455) 6.148 8.027 ( 5.973 0.000 -1.455) 6.148 8.277 ( 12.111 0.000 -13.248) 17.950 8.277 ( -12.111 0.000 13.248) 17.950 8.326 ( -6.241 0.000 -3.432) 7.122 8.326 ( 6.241 0.000 3.432) 7.122 8.542 ( -1.906 0.000 -0.747) 2.047 8.542 ( 1.906 0.000 0.747) 2.047 8.837 ( -11.952 0.000 3.675) 12.504 8.837 ( 11.952 0.000 -3.675) 12.504 9.020 ( 4.858 0.000 -8.008) 9.367 9.020 ( -4.858 0.000 8.008) 9.367 9.438 ( 0.276 0.000 -4.781) 4.788 9.438 ( -0.276 0.000 4.781) 4.788 10.062 ( 3.200 0.000 -3.762) 4.938 10.062 ( -3.200 0.000 3.762) 4.938 10.199 ( -3.153 0.000 -1.032) 3.318 10.199 ( 3.153 0.000 1.032) 3.318 10.392 ( 2.449 0.000 -2.622) 3.588 10.392 ( -2.449 0.000 2.622) 3.588 10.734 ( 3.878 0.000 -1.962) 4.346 10.734 ( -3.878 0.000 1.962) 4.346 11.041 ( -24.069 0.000 3.109) 24.269 11.041 ( 24.069 0.000 -3.109) 24.269 11.340 ( 7.793 0.000 -7.146) 10.574 11.340 ( -7.793 0.000 7.146) 10.574 13.017 ( 5.830 0.000 -5.017) 7.691 13.017 ( -5.830 0.000 5.017) 7.691 13.257 ( 2.390 0.000 -4.355) 4.968 13.257 ( -2.390 0.000 4.355) 4.968 13.686 ( 5.128 0.000 -2.693) 5.792 13.686 ( -5.128 0.000 2.693) 5.792 14.132 ( 1.654 0.000 -3.218) 3.618 14.132 ( -1.654 0.000 3.218) 3.618 16.283 ( -3.839 0.000 1.225) 4.030 16.283 ( 3.839 0.000 -1.225) 4.030 16.687 ( 0.778 0.000 -1.740) 1.906 16.687 ( -0.778 0.000 1.740) 1.906 17.107 ( -6.988 0.000 0.772) 7.030 17.107 ( 6.988 0.000 -0.772) 7.030 17.182 ( -6.077 0.000 -3.552) 7.039 17.182 ( 6.077 0.000 3.552) 7.039 17.378 ( -7.032 0.000 0.064) 7.032 17.378 ( 7.032 0.000 -0.064) 7.032 18.502 ( -0.644 0.000 0.139) 0.659 18.502 ( 0.644 0.000 -0.139) 0.659 18.597 ( -0.235 0.000 0.023) 0.236 18.597 ( 0.235 0.000 -0.023) 0.236 19.382 ( 0.302 0.000 -0.511) 0.593 19.382 ( -0.302 0.000 0.511) 0.593 20.105 ( -1.999 0.000 -3.395) 3.940 20.105 ( 1.999 0.000 3.395) 3.940 20.392 ( 1.671 0.000 -1.544) 2.276 20.392 ( -1.671 0.000 1.544) 2.276 22.548 ( -36.837 0.000 -1.362) 36.862 22.548 ( 36.837 0.000 1.362) 36.862 24.677 ( 5.273 0.000 -6.625) 8.467 24.677 ( -5.273 0.000 6.625) 8.467 25.728 ( 5.083 0.000 -3.246) 6.031 25.728 ( -5.083 0.000 3.246) 6.031 26.149 ( 0.227 0.000 -5.693) 5.698 26.149 ( -0.227 0.000 5.693) 5.698 26.890 ( -7.918 0.000 1.281) 8.021 26.890 ( 7.918 0.000 -1.281) 8.021 31.925 ( -11.490 0.000 -1.445) 11.580 31.925 ( 11.490 0.000 1.445) 11.580 32.475 ( 9.505 0.000 -7.924) 12.375 32.475 ( -9.505 0.000 7.924) 12.375 ======================= Grid point 128 (57/75) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -9.661 0.000 -33.938) 35.286 1.263 ( 19.050 0.000 -20.723) 28.149 1.456 ( -13.042 0.000 20.632) 24.409 1.825 ( 9.501 0.000 21.483) 23.490 2.464 ( 36.936 0.000 -29.448) 47.238 2.483 ( -3.154 0.000 7.203) 7.863 2.877 ( -5.973 0.000 -2.030) 6.308 2.999 ( 0.029 0.000 18.648) 18.648 3.111 ( 0.574 0.000 -1.893) 1.979 3.208 ( -1.018 0.000 8.430) 8.492 3.311 ( -3.481 0.000 -2.754) 4.439 3.500 ( -1.568 0.000 17.181) 17.252 3.679 ( 8.975 0.000 -1.386) 9.081 3.739 ( 9.016 0.000 -0.234) 9.019 3.995 ( -9.724 0.000 -6.981) 11.970 4.086 ( -5.976 0.000 -0.084) 5.977 4.238 ( -2.178 0.000 2.333) 3.192 4.255 ( 4.548 0.000 -4.530) 6.419 4.431 ( 2.074 0.000 6.045) 6.390 4.509 ( -5.463 0.000 1.785) 5.747 4.664 ( -5.503 0.000 2.097) 5.889 4.671 ( -9.331 0.000 -0.014) 9.331 4.950 ( 0.024 0.000 1.208) 1.209 5.009 ( -1.196 0.000 -6.274) 6.387 5.089 ( 2.842 0.000 -6.846) 7.413 5.213 ( -0.375 0.000 -7.154) 7.164 5.271 ( -4.354 0.000 13.114) 13.818 5.433 ( 13.364 0.000 -3.631) 13.848 5.498 ( -4.593 0.000 -6.426) 7.899 5.577 ( 7.605 0.000 8.192) 11.178 5.625 ( -2.416 0.000 0.919) 2.585 5.682 ( 2.172 0.000 1.806) 2.825 5.775 ( 15.064 0.000 -1.718) 15.162 5.890 ( -0.926 0.000 1.988) 2.193 5.979 ( -4.593 0.000 -3.574) 5.820 6.097 ( 17.838 0.000 7.661) 19.413 6.211 ( 7.152 0.000 -1.672) 7.345 6.400 ( 6.496 0.000 3.708) 7.480 6.543 ( -2.244 0.000 -2.100) 3.073 6.607 ( -7.816 0.000 -3.128) 8.419 6.661 ( 0.727 0.000 4.053) 4.118 6.665 ( 0.037 0.000 2.834) 2.835 6.724 ( -2.447 0.000 -1.882) 3.087 6.965 ( -3.247 0.000 8.916) 9.489 6.997 ( 3.824 0.000 0.775) 3.902 7.044 ( -3.390 0.000 -3.144) 4.624 7.223 ( -2.440 0.000 -2.978) 3.850 7.244 ( 2.486 0.000 -7.324) 7.735 7.512 ( 5.284 0.000 2.091) 5.682 7.545 ( 3.056 0.000 1.888) 3.592 7.625 ( -3.592 0.000 -6.044) 7.030 7.796 ( 0.649 0.000 3.267) 3.331 7.966 ( -3.147 0.000 5.008) 5.915 8.070 ( -10.216 0.000 -10.131) 14.388 8.101 ( 2.378 0.000 -3.520) 4.248 8.212 ( -6.416 0.000 8.807) 10.896 8.306 ( 0.221 0.000 -4.346) 4.351 8.411 ( 5.564 0.000 -2.877) 6.264 8.546 ( 0.113 0.000 2.546) 2.549 8.556 ( -12.954 0.000 -0.434) 12.961 8.625 ( 0.904 0.000 -0.894) 1.271 8.845 ( -8.461 0.000 -2.501) 8.823 8.985 ( -5.413 0.000 6.626) 8.556 9.009 ( -0.292 0.000 -3.118) 3.131 9.398 ( -0.520 0.000 -5.326) 5.351 9.557 ( 2.554 0.000 9.334) 9.677 10.066 ( -1.372 0.000 5.348) 5.522 10.067 ( -0.903 0.000 -3.722) 3.830 10.089 ( -4.861 0.000 -5.654) 7.457 10.271 ( 5.107 0.000 -1.565) 5.341 10.401 ( 0.869 0.000 2.290) 2.450 10.424 ( 1.637 0.000 -2.474) 2.967 10.593 ( -8.173 0.000 -3.334) 8.827 10.673 ( -4.538 0.000 2.888) 5.379 10.816 ( 3.557 0.000 -5.530) 6.575 11.246 ( -7.926 0.000 4.576) 9.152 11.297 ( 8.929 0.000 -5.331) 10.399 11.350 ( 2.560 0.000 -11.710) 11.987 12.924 ( -6.654 0.000 3.330) 7.441 12.986 ( -2.888 0.000 -4.145) 5.052 13.194 ( -4.267 0.000 -5.620) 7.056 13.206 ( -7.891 0.000 5.000) 9.342 13.690 ( 3.838 0.000 1.324) 4.060 13.767 ( 4.894 0.000 -0.921) 4.980 14.148 ( 3.143 0.000 -3.043) 4.375 14.160 ( 1.482 0.000 2.211) 2.662 16.159 ( -9.823 0.000 1.220) 9.899 16.253 ( -5.263 0.000 -1.349) 5.433 16.686 ( 0.902 0.000 -1.365) 1.636 16.690 ( -0.757 0.000 1.734) 1.892 16.989 ( -4.274 0.000 -1.874) 4.667 17.076 ( -2.361 0.000 -2.948) 3.777 17.203 ( 6.211 0.000 -3.929) 7.349 17.265 ( -2.679 0.000 4.625) 5.345 17.430 ( 11.682 0.000 1.699) 11.805 17.559 ( 11.150 0.000 0.073) 11.150 18.486 ( -0.885 0.000 -0.185) 0.904 18.500 ( -0.640 0.000 -0.028) 0.641 18.614 ( 1.759 0.000 0.153) 1.766 18.627 ( 2.978 0.000 -0.315) 2.994 19.359 ( -2.431 0.000 0.530) 2.488 19.359 ( -1.970 0.000 -0.410) 2.012 20.062 ( 0.286 0.000 -1.642) 1.667 20.168 ( -0.183 0.000 4.784) 4.788 20.366 ( -2.508 0.000 1.662) 3.008 20.386 ( -0.951 0.000 -0.822) 1.257 22.258 ( -4.780 0.000 12.393) 13.283 23.482 ( 32.941 0.000 32.843) 46.516 24.596 ( -7.563 0.000 0.965) 7.624 24.683 ( 4.499 0.000 -8.992) 10.055 25.720 ( 0.192 0.000 3.063) 3.069 25.854 ( 9.395 0.000 -0.303) 9.399 26.097 ( 1.771 0.000 -6.694) 6.924 26.199 ( -0.200 0.000 5.302) 5.306 26.667 ( -10.234 0.000 -7.803) 12.869 26.920 ( -1.736 0.000 -2.098) 2.723 31.765 ( -5.722 0.000 2.803) 6.372 32.061 ( 1.015 0.000 -0.261) 1.048 32.490 ( -0.992 0.000 9.701) 9.752 32.781 ( 19.472 0.000 7.926) 21.023 ======================= Grid point 129 (58/75) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 6.887 0.000 -15.455) 16.920 1.494 ( 22.586 0.000 -11.939) 25.547 1.630 ( 12.402 0.000 11.489) 16.905 2.234 ( 12.813 0.000 8.822) 15.556 2.373 ( -12.669 0.000 -8.024) 14.997 2.695 ( -3.382 0.000 -10.754) 11.273 2.746 ( -0.317 0.000 1.583) 1.614 3.019 ( -8.962 0.000 10.614) 13.891 3.102 ( 7.047 0.000 -8.241) 10.843 3.191 ( 4.926 0.000 -12.366) 13.311 3.226 ( 0.341 0.000 5.005) 5.017 3.691 ( 2.603 0.000 19.528) 19.700 3.782 ( -3.470 0.000 -9.030) 9.674 3.795 ( -5.656 0.000 2.385) 6.138 3.914 ( -11.125 0.000 -0.760) 11.150 3.945 ( 10.531 0.000 -0.990) 10.577 4.275 ( 0.333 0.000 6.615) 6.623 4.335 ( 6.451 0.000 -3.367) 7.277 4.459 ( 4.839 0.000 6.259) 7.912 4.476 ( -0.945 0.000 3.529) 3.653 4.535 ( -4.337 0.000 -2.880) 5.206 4.620 ( -6.415 0.000 1.890) 6.688 4.949 ( -0.195 0.000 -3.336) 3.341 4.996 ( 2.615 0.000 -0.057) 2.616 5.104 ( 0.166 0.000 6.841) 6.843 5.124 ( -0.070 0.000 -8.973) 8.973 5.336 ( -0.526 0.000 7.467) 7.485 5.383 ( 0.646 0.000 -3.817) 3.871 5.459 ( -6.745 0.000 -2.677) 7.257 5.648 ( 6.564 0.000 -2.602) 7.060 5.740 ( 1.396 0.000 0.827) 1.622 5.832 ( 2.185 0.000 -1.062) 2.430 5.845 ( 5.128 0.000 6.260) 8.092 5.980 ( 5.594 0.000 6.438) 8.529 6.139 ( 10.449 0.000 7.418) 12.814 6.228 ( -1.911 0.000 -0.370) 1.947 6.376 ( -3.536 0.000 -4.685) 5.869 6.388 ( 0.719 0.000 1.035) 1.260 6.511 ( 1.930 0.000 4.932) 5.296 6.588 ( -0.733 0.000 -1.522) 1.690 6.665 ( 12.418 0.000 -0.573) 12.431 6.722 ( 5.982 0.000 -3.563) 6.963 6.779 ( 0.144 0.000 3.039) 3.042 6.839 ( -5.615 0.000 -1.573) 5.831 7.022 ( -3.661 0.000 -8.545) 9.296 7.070 ( 1.173 0.000 3.637) 3.821 7.170 ( -3.807 0.000 9.688) 10.409 7.246 ( 6.023 0.000 -7.049) 9.272 7.427 ( -8.001 0.000 -5.783) 9.872 7.610 ( 4.429 0.000 -2.938) 5.315 7.622 ( 0.920 0.000 1.655) 1.894 7.815 ( -1.422 0.000 2.221) 2.637 7.866 ( -1.362 0.000 -5.926) 6.080 7.945 ( -14.288 0.000 -4.355) 14.937 8.068 ( 6.105 0.000 7.981) 10.048 8.189 ( -14.927 0.000 5.020) 15.748 8.239 ( 1.049 0.000 4.439) 4.561 8.383 ( 2.552 0.000 -2.771) 3.768 8.506 ( 5.513 0.000 -3.575) 6.571 8.564 ( -5.939 0.000 -1.289) 6.077 8.583 ( -9.289 0.000 2.351) 9.582 8.646 ( 1.721 0.000 -4.283) 4.616 8.968 ( -0.454 0.000 -1.033) 1.128 8.978 ( -2.270 0.000 5.986) 6.402 9.324 ( 1.005 0.000 -10.158) 10.207 9.458 ( -8.620 0.000 -8.727) 12.266 10.043 ( -0.409 0.000 0.336) 0.529 10.083 ( -2.135 0.000 3.487) 4.089 10.131 ( 5.137 0.000 13.325) 14.281 10.343 ( 5.670 0.000 -4.502) 7.240 10.411 ( 1.377 0.000 -1.149) 1.794 10.462 ( 3.133 0.000 1.592) 3.514 10.635 ( 7.004 0.000 -0.211) 7.007 10.638 ( -2.770 0.000 3.513) 4.474 10.806 ( 1.774 0.000 -7.069) 7.289 11.170 ( -5.018 0.000 4.975) 7.066 11.201 ( -5.257 0.000 -11.356) 12.514 11.319 ( -1.436 0.000 -2.075) 2.524 12.871 ( -1.549 0.000 0.730) 1.713 12.908 ( -1.099 0.000 -2.390) 2.631 13.037 ( -4.601 0.000 -6.879) 8.276 13.096 ( -9.491 0.000 5.866) 11.158 13.800 ( 6.204 0.000 -0.279) 6.210 13.841 ( 3.338 0.000 0.736) 3.418 14.182 ( 3.087 0.000 -1.865) 3.607 14.208 ( 1.633 0.000 0.848) 1.840 15.998 ( -8.317 0.000 1.518) 8.454 16.105 ( -8.219 0.000 -1.634) 8.380 16.693 ( 1.023 0.000 -1.061) 1.474 16.694 ( -0.674 0.000 1.689) 1.818 16.931 ( -1.531 0.000 0.636) 1.658 17.019 ( -0.524 0.000 -3.959) 3.993 17.260 ( 4.473 0.000 -4.134) 6.091 17.271 ( -1.285 0.000 3.933) 4.138 17.666 ( 10.434 0.000 2.307) 10.686 17.744 ( 8.432 0.000 -0.011) 8.432 18.471 ( -0.428 0.000 -0.373) 0.568 18.486 ( -0.901 0.000 0.122) 0.909 18.657 ( 2.325 0.000 0.653) 2.415 18.682 ( 3.212 0.000 -0.937) 3.346 19.317 ( -2.155 0.000 -0.038) 2.155 19.318 ( -2.168 0.000 0.123) 2.171 20.075 ( 2.680 0.000 -1.855) 3.259 20.185 ( -2.565 0.000 3.836) 4.615 20.341 ( -1.677 0.000 1.052) 1.979 20.355 ( -1.491 0.000 -0.319) 1.525 22.465 ( 9.445 0.000 15.996) 18.577 23.823 ( -17.514 0.000 4.833) 18.168 24.574 ( 0.854 0.000 11.293) 11.326 24.679 ( 5.683 0.000 -10.387) 11.840 25.775 ( 2.203 0.000 2.632) 3.433 25.898 ( -3.219 0.000 0.589) 3.273 26.179 ( 8.447 0.000 -2.960) 8.950 26.240 ( -0.854 0.000 4.666) 4.743 26.524 ( 6.234 0.000 -9.783) 11.600 26.830 ( -6.190 0.000 0.258) 6.195 31.754 ( -0.021 0.000 4.121) 4.121 32.018 ( -2.369 0.000 -3.628) 4.333 32.593 ( 1.197 0.000 10.461) 10.529 33.026 ( 0.117 0.000 1.291) 1.296 ======================= Grid point 130 (59/75) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 27.228 0.000 16.472) 31.823 1.752 ( -6.747 0.000 -15.535) 16.937 1.910 ( 7.079 0.000 -4.868) 8.591 2.026 ( 11.000 0.000 7.897) 13.541 2.236 ( -9.990 0.000 -10.731) 14.662 2.364 ( -16.839 0.000 -3.610) 17.221 2.945 ( 6.575 0.000 3.610) 7.501 3.000 ( -5.058 0.000 7.233) 8.826 3.097 ( 7.766 0.000 7.876) 11.061 3.334 ( 2.329 0.000 8.614) 8.924 3.344 ( 15.302 0.000 -13.924) 20.689 3.468 ( -15.493 0.000 -9.750) 18.305 3.718 ( -3.462 0.000 -7.504) 8.264 3.723 ( -7.207 0.000 3.530) 8.025 3.978 ( 7.683 0.000 16.202) 17.931 4.115 ( 7.494 0.000 -1.658) 7.675 4.329 ( -2.563 0.000 7.735) 8.148 4.334 ( -0.482 0.000 -6.093) 6.112 4.382 ( -4.803 0.000 -5.517) 7.315 4.407 ( -7.858 0.000 -4.579) 9.095 4.619 ( 10.137 0.000 -2.305) 10.395 4.651 ( -1.395 0.000 8.462) 8.576 4.949 ( 10.349 0.000 -5.875) 11.900 5.015 ( -0.067 0.000 0.989) 0.991 5.049 ( 1.064 0.000 -6.041) 6.135 5.258 ( -16.139 0.000 2.222) 16.291 5.297 ( 4.199 0.000 13.232) 13.883 5.384 ( -2.426 0.000 2.908) 3.787 5.401 ( 3.300 0.000 -2.220) 3.977 5.554 ( -6.523 0.000 -7.680) 10.076 5.776 ( 8.594 0.000 5.696) 10.310 5.927 ( 1.323 0.000 -0.637) 1.468 6.033 ( 5.960 0.000 11.562) 13.007 6.171 ( 9.008 0.000 5.589) 10.601 6.254 ( -4.232 0.000 1.254) 4.414 6.302 ( -5.139 0.000 -6.882) 8.589 6.318 ( 0.164 0.000 -2.899) 2.904 6.364 ( 10.003 0.000 5.766) 11.545 6.431 ( -3.819 0.000 -4.474) 5.882 6.562 ( -4.058 0.000 -3.193) 5.163 6.638 ( -4.375 0.000 -6.391) 7.745 6.699 ( -4.342 0.000 -4.063) 5.946 6.833 ( 4.073 0.000 -0.313) 4.085 6.866 ( 0.281 0.000 -2.495) 2.511 7.085 ( 16.661 0.000 0.543) 16.670 7.103 ( 0.190 0.000 1.420) 1.432 7.154 ( -3.697 0.000 7.472) 8.337 7.292 ( 4.005 0.000 -6.207) 7.387 7.313 ( -0.213 0.000 -0.003) 0.213 7.512 ( -20.701 0.000 3.794) 21.046 7.659 ( 0.234 0.000 4.848) 4.853 7.713 ( 1.527 0.000 -8.785) 8.917 7.816 ( 0.319 0.000 2.771) 2.789 7.840 ( 1.427 0.000 -2.879) 3.213 8.020 ( -4.500 0.000 1.544) 4.758 8.106 ( -8.529 0.000 -2.025) 8.766 8.354 ( 6.613 0.000 7.423) 9.941 8.418 ( 1.689 0.000 -0.965) 1.945 8.439 ( 1.429 0.000 -0.569) 1.538 8.541 ( -0.302 0.000 -4.666) 4.675 8.585 ( -2.459 0.000 4.682) 5.289 8.587 ( -2.509 0.000 -0.761) 2.622 9.006 ( 6.209 0.000 -3.995) 7.383 9.020 ( -0.777 0.000 6.665) 6.711 9.243 ( 2.295 0.000 -11.017) 11.254 9.268 ( -7.221 0.000 0.467) 7.236 10.038 ( 0.399 0.000 -0.019) 0.400 10.060 ( -2.248 0.000 0.974) 2.449 10.336 ( -2.564 0.000 17.466) 17.653 10.379 ( 5.168 0.000 -8.642) 10.069 10.455 ( 4.245 0.000 -0.170) 4.249 10.511 ( 0.803 0.000 -1.391) 1.606 10.644 ( -0.709 0.000 4.903) 4.954 10.699 ( -0.264 0.000 -3.992) 4.001 10.816 ( 6.902 0.000 -1.133) 6.994 10.983 ( -7.883 0.000 -6.554) 10.252 11.170 ( -0.169 0.000 4.641) 4.644 11.242 ( -3.453 0.000 -2.777) 4.431 12.871 ( 0.691 0.000 0.538) 0.875 12.898 ( -0.859 0.000 0.867) 1.221 12.934 ( 3.455 0.000 -8.999) 9.640 12.989 ( -8.520 0.000 6.277) 10.582 13.882 ( 3.135 0.000 -0.872) 3.254 13.892 ( 0.884 0.000 1.035) 1.361 14.216 ( 1.711 0.000 -0.605) 1.815 14.228 ( 0.016 0.000 0.202) 0.203 15.916 ( -2.069 0.000 1.874) 2.792 15.962 ( -4.783 0.000 -1.914) 5.151 16.698 ( -0.697 0.000 1.614) 1.759 16.699 ( 0.860 0.000 -1.363) 1.612 16.936 ( -0.422 0.000 3.450) 3.476 16.973 ( 0.009 0.000 -4.490) 4.490 17.286 ( -1.417 0.000 3.769) 4.026 17.287 ( 2.742 0.000 -3.848) 4.726 17.823 ( 4.516 0.000 1.148) 4.660 17.846 ( 2.582 0.000 -0.248) 2.594 18.465 ( 0.208 0.000 -0.279) 0.348 18.472 ( -0.716 0.000 0.164) 0.734 18.700 ( 1.060 0.000 1.246) 1.637 18.712 ( 1.254 0.000 -1.390) 1.872 19.288 ( -0.953 0.000 0.266) 0.990 19.290 ( -0.772 0.000 -0.239) 0.808 20.114 ( 3.628 0.000 -2.259) 4.274 20.158 ( -3.721 0.000 2.774) 4.641 20.328 ( -0.482 0.000 0.479) 0.680 20.333 ( -0.647 0.000 -0.152) 0.665 22.860 ( 14.446 0.000 19.321) 24.125 23.356 ( -19.448 0.000 -18.026) 26.517 24.671 ( -4.849 0.000 13.602) 14.440 24.685 ( 6.502 0.000 -11.639) 13.332 25.834 ( 1.901 0.000 1.192) 2.244 25.863 ( -1.400 0.000 0.621) 1.531 26.237 ( 3.493 0.000 -4.293) 5.534 26.252 ( -2.565 0.000 4.129) 4.861 26.621 ( 8.821 0.000 -4.589) 9.943 26.724 ( -6.924 0.000 2.756) 7.452 31.824 ( 2.472 0.000 4.890) 5.479 31.925 ( -3.047 0.000 -4.791) 5.678 32.736 ( 2.604 0.000 11.821) 12.105 32.913 ( -4.196 0.000 -10.424) 11.237 ======================= Grid point 134 (60/75) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -7.559 6.403 -6.467) 11.830 1.317 ( 7.559 6.403 6.467) 11.830 1.685 ( 5.063 6.495 -4.650) 9.458 1.685 ( -5.063 6.495 4.650) 9.458 2.456 ( 1.668 6.733 -12.225) 14.056 2.456 ( -1.668 6.733 12.225) 14.056 2.841 ( 6.099 -3.568 -8.522) 11.070 2.841 ( -6.099 -3.568 8.522) 11.070 3.163 ( -4.093 5.855 -10.434) 12.645 3.163 ( 4.093 5.855 10.434) 12.645 3.449 ( 4.000 7.799 -14.307) 16.778 3.449 ( -4.000 7.799 14.307) 16.778 3.721 ( 0.603 5.615 -5.506) 7.887 3.721 ( -0.603 5.615 5.506) 7.887 4.095 ( -2.793 -2.963 -0.062) 4.073 4.095 ( 2.793 -2.963 0.062) 4.073 4.225 ( -3.970 -4.675 -7.677) 9.826 4.225 ( 3.970 -4.675 7.677) 9.826 4.441 ( -0.787 3.680 -5.528) 6.687 4.441 ( 0.787 3.680 5.528) 6.687 4.724 ( -0.831 -5.042 -7.173) 8.807 4.724 ( 0.831 -5.042 7.173) 8.807 4.979 ( -3.596 -1.198 -7.107) 8.055 4.979 ( 3.596 -1.198 7.107) 8.055 5.159 ( -1.200 -1.498 -2.240) 2.950 5.159 ( 1.200 -1.498 2.240) 2.950 5.265 ( 1.884 -3.507 -10.348) 11.087 5.265 ( -1.884 -3.507 10.348) 11.087 5.472 ( -10.896 2.215 -4.219) 11.893 5.472 ( 10.896 2.215 4.219) 11.893 5.643 ( -0.259 -3.280 -4.472) 5.552 5.643 ( 0.259 -3.280 4.472) 5.552 5.798 ( -10.746 4.288 -5.765) 12.927 5.798 ( 10.746 4.288 5.765) 12.927 6.017 ( -3.240 -0.527 -2.964) 4.423 6.017 ( 3.240 -0.527 2.964) 4.423 6.289 ( -7.095 6.864 -3.872) 10.604 6.289 ( 7.095 6.864 3.872) 10.604 6.513 ( -1.343 -5.074 -8.113) 9.663 6.513 ( 1.343 -5.074 8.113) 9.663 6.597 ( 0.871 -2.367 -3.541) 4.348 6.597 ( -0.871 -2.367 3.541) 4.348 6.952 ( -5.015 -3.230 -2.619) 6.515 6.952 ( 5.015 -3.230 2.619) 6.515 7.050 ( 2.708 5.786 -7.116) 9.563 7.050 ( -2.708 5.786 7.116) 9.563 7.249 ( 2.883 1.271 -3.522) 4.726 7.249 ( -2.883 1.271 3.522) 4.726 7.472 ( -0.379 -0.373 -2.597) 2.651 7.472 ( 0.379 -0.373 2.597) 2.651 7.698 ( -0.836 -3.664 -4.438) 5.816 7.698 ( 0.836 -3.664 4.438) 5.816 7.988 ( 5.778 -2.854 -4.631) 7.936 7.988 ( -5.778 -2.854 4.631) 7.936 8.238 ( -1.812 -4.758 -6.365) 8.151 8.238 ( 1.812 -4.758 6.365) 8.151 8.350 ( 4.270 1.939 -8.545) 9.747 8.350 ( -4.270 1.939 8.545) 9.747 8.519 ( 2.450 -0.723 -0.977) 2.735 8.519 ( -2.450 -0.723 0.977) 2.735 8.810 ( -6.272 -3.584 -7.558) 10.455 8.810 ( 6.272 -3.584 7.558) 10.455 9.020 ( 2.073 1.037 -7.717) 8.058 9.020 ( -2.073 1.037 7.717) 8.058 9.444 ( -6.131 -0.380 -6.911) 9.246 9.444 ( 6.131 -0.380 6.911) 9.246 10.023 ( 2.285 -3.228 -4.596) 6.064 10.023 ( -2.285 -3.228 4.596) 6.064 10.178 ( -0.535 -1.961 -1.896) 2.780 10.178 ( 0.535 -1.961 1.896) 2.780 10.435 ( 0.782 3.309 -3.440) 4.836 10.435 ( -0.782 3.309 3.440) 4.836 10.774 ( 1.012 2.330 -2.588) 3.626 10.774 ( -1.012 2.330 2.588) 3.626 10.946 ( -20.510 -6.831 2.202) 21.730 10.946 ( 20.510 -6.831 -2.202) 21.730 11.345 ( 6.207 0.454 -5.658) 8.411 11.345 ( -6.207 0.454 5.658) 8.411 12.971 ( -0.866 -3.360 -3.874) 5.201 12.971 ( 0.866 -3.360 3.874) 5.201 13.245 ( 1.448 -0.866 -4.035) 4.373 13.245 ( -1.448 -0.866 4.035) 4.373 13.738 ( -0.911 4.076 -0.029) 4.177 13.738 ( 0.911 4.076 0.029) 4.177 14.150 ( 1.551 1.443 -3.454) 4.052 14.150 ( -1.551 1.443 3.454) 4.052 16.272 ( -1.086 -0.917 -0.264) 1.445 16.272 ( 1.086 -0.917 0.264) 1.445 16.698 ( 0.556 0.913 -1.810) 2.102 16.698 ( -0.556 0.913 1.810) 2.102 17.068 ( -2.967 -3.277 -1.438) 4.648 17.068 ( 2.967 -3.277 1.438) 4.648 17.157 ( -2.869 -0.594 -2.320) 3.737 17.157 ( 2.869 -0.594 2.320) 3.737 17.421 ( -5.369 2.208 -0.936) 5.881 17.421 ( 5.369 2.208 0.936) 5.881 18.522 ( 0.033 1.498 -1.427) 2.069 18.522 ( -0.033 1.498 1.427) 2.069 18.601 ( 0.310 0.350 -0.168) 0.497 18.601 ( -0.310 0.350 0.168) 0.497 19.382 ( 0.430 0.013 -0.659) 0.787 19.382 ( -0.430 0.013 0.659) 0.787 20.104 ( -2.122 -0.251 -2.335) 3.165 20.104 ( 2.122 -0.251 2.335) 3.165 20.414 ( 1.835 1.862 -1.403) 2.967 20.414 ( -1.835 1.862 1.403) 2.967 22.426 ( -19.009 -9.515 -1.790) 21.333 22.426 ( 19.009 -9.515 1.790) 21.333 24.689 ( 1.367 0.852 -5.962) 6.175 24.689 ( -1.367 0.852 5.962) 6.175 25.743 ( 4.448 0.760 -4.961) 6.706 25.743 ( -4.448 0.760 4.961) 6.706 26.176 ( -2.250 2.317 -4.400) 5.458 26.176 ( 2.250 2.317 4.400) 5.458 26.972 ( 0.775 6.814 -16.486) 17.856 26.972 ( -0.775 6.814 16.486) 17.856 31.890 ( -10.048 -2.617 -0.127) 10.384 31.890 ( 10.048 -2.617 0.127) 10.384 32.434 ( 2.994 -3.821 -9.140) 10.349 32.434 ( -2.994 -3.821 9.140) 10.349 ======================= Grid point 136 (61/75) ======================= q-point: ( 0.14 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -2.812 8.453 -23.155) 24.810 1.449 ( 2.641 7.835 0.752) 8.302 1.572 ( 4.135 11.250 4.547) 12.820 1.898 ( 6.517 7.143 12.358) 15.691 2.517 ( 17.105 2.100 -9.647) 19.750 2.524 ( -0.719 4.229 3.023) 5.248 2.805 ( -0.359 -2.980 0.855) 3.121 2.994 ( 5.565 -5.916 -3.818) 8.975 3.098 ( 6.425 2.044 -5.801) 8.894 3.304 ( 0.269 8.887 -2.133) 9.143 3.428 ( -0.597 9.146 2.340) 9.460 3.491 ( -5.949 3.093 14.773) 16.223 3.718 ( 6.104 3.487 -3.403) 7.810 3.842 ( 5.949 6.596 7.071) 11.354 3.962 ( -7.966 0.529 2.163) 8.272 4.136 ( 0.883 -2.025 -2.228) 3.137 4.160 ( 0.221 0.690 -3.736) 3.805 4.321 ( -2.177 1.970 0.157) 2.941 4.378 ( 0.714 -6.191 3.674) 7.235 4.490 ( -0.307 0.693 5.099) 5.155 4.571 ( -5.989 -2.630 -3.429) 7.386 4.731 ( -6.156 3.182 0.909) 6.989 4.867 ( 2.362 -4.665 -3.856) 6.497 4.970 ( -4.886 -8.236 -2.245) 9.836 5.099 ( 0.936 3.302 -2.839) 4.454 5.216 ( -7.707 -1.325 0.677) 7.849 5.264 ( 0.085 1.155 7.340) 7.431 5.343 ( 11.592 -6.113 -5.363) 14.160 5.493 ( -5.660 -2.231 -3.677) 7.108 5.552 ( 12.054 -0.883 -0.048) 12.087 5.590 ( -0.847 -5.003 5.159) 7.236 5.674 ( -1.690 -0.399 -0.827) 1.923 5.827 ( 14.080 5.116 6.300) 16.251 5.922 ( -0.888 1.624 -1.601) 2.447 5.987 ( -1.928 1.215 2.574) 3.438 6.137 ( 8.290 2.765 -0.350) 8.746 6.242 ( 7.393 2.116 0.885) 7.740 6.429 ( 1.900 -3.623 -4.750) 6.269 6.447 ( 1.614 0.336 2.038) 2.621 6.591 ( 1.461 -3.531 -0.918) 3.930 6.644 ( 2.587 -2.479 8.625) 9.339 6.659 ( 0.995 0.126 2.979) 3.143 6.766 ( -8.011 2.908 -3.289) 9.135 6.929 ( -7.000 -5.676 -2.834) 9.447 7.001 ( -1.522 3.993 4.926) 6.521 7.142 ( 5.660 6.338 3.636) 9.243 7.240 ( -3.388 2.417 -3.257) 5.285 7.283 ( 3.298 1.639 -3.790) 5.285 7.473 ( 3.268 -2.216 -0.625) 3.998 7.520 ( 2.519 -1.847 2.516) 4.011 7.612 ( -2.805 -0.948 -5.792) 6.505 7.732 ( -1.070 -6.744 4.163) 7.997 7.952 ( -2.669 -1.064 5.069) 5.827 8.026 ( 1.873 -1.952 -4.548) 5.292 8.048 ( -5.321 -1.685 -11.718) 12.980 8.286 ( 0.786 -1.346 -1.232) 1.987 8.347 ( 2.341 2.942 -1.840) 4.185 8.373 ( -4.668 -1.888 6.550) 8.262 8.481 ( -4.149 -5.260 -4.329) 7.976 8.516 ( -10.742 -3.138 -0.152) 11.192 8.606 ( 4.723 1.377 -0.517) 4.946 8.848 ( -7.821 -0.982 2.110) 8.160 8.948 ( -1.376 -1.826 -5.014) 5.511 9.026 ( -5.657 1.641 6.578) 8.829 9.327 ( -0.819 -5.433 -5.076) 7.480 9.638 ( 2.820 2.901 8.731) 9.623 9.993 ( -0.240 -5.378 -4.615) 7.091 10.042 ( 0.173 -1.697 0.286) 1.729 10.111 ( -3.933 0.630 4.058) 5.687 10.263 ( 3.635 -1.737 -0.324) 4.041 10.434 ( -5.056 3.012 0.173) 5.888 10.438 ( 2.920 0.264 -4.002) 4.962 10.574 ( -5.684 -0.663 -2.102) 6.097 10.725 ( -3.571 2.657 1.993) 4.877 10.821 ( 2.292 1.591 -2.108) 3.497 11.181 ( 5.991 -6.812 -2.685) 9.461 11.266 ( -4.841 -1.028 1.082) 5.066 11.366 ( 2.267 1.801 -6.904) 7.486 12.863 ( -3.449 -2.402 0.292) 4.213 13.040 ( -1.800 2.316 -0.439) 2.966 13.184 ( -3.296 -1.733 -3.657) 5.220 13.196 ( -6.110 -1.149 3.104) 6.949 13.690 ( -0.332 2.367 1.259) 2.701 13.822 ( 4.783 3.505 -0.492) 5.950 14.159 ( 2.789 0.972 -1.765) 3.441 14.186 ( 2.082 2.112 1.054) 3.147 16.147 ( -9.715 -0.995 0.995) 9.817 16.246 ( -5.114 -0.655 -1.284) 5.313 16.693 ( 0.598 0.564 -1.253) 1.498 16.704 ( -0.727 1.160 1.834) 2.288 16.980 ( -3.100 -0.794 -2.029) 3.789 17.064 ( -1.018 -0.930 -2.482) 2.839 17.172 ( 3.978 -1.944 -0.889) 4.516 17.263 ( 0.163 -1.001 4.275) 4.394 17.401 ( 8.568 -0.993 -1.238) 8.714 17.585 ( 9.833 0.921 -0.123) 9.877 18.504 ( -0.464 1.413 -1.089) 1.843 18.524 ( -1.073 1.798 1.031) 2.334 18.619 ( 1.848 0.478 0.236) 1.924 18.630 ( 2.974 0.270 -0.398) 3.013 19.355 ( -2.457 -0.074 0.301) 2.477 19.367 ( -1.619 0.412 -0.266) 1.692 20.062 ( -0.228 -0.103 -1.158) 1.185 20.157 ( 0.102 -0.998 3.478) 3.620 20.380 ( -2.865 1.230 1.416) 3.424 20.408 ( -1.101 1.850 -1.011) 2.378 22.229 ( -3.093 -2.569 11.359) 12.049 23.091 ( 31.004 -28.075 10.014) 43.008 24.602 ( -3.830 1.523 -1.429) 4.362 24.738 ( 1.670 2.292 0.259) 2.848 25.738 ( 0.165 0.310 3.790) 3.806 25.827 ( 7.941 -0.234 -4.017) 8.903 26.116 ( 0.366 2.131 -3.405) 4.033 26.285 ( 4.683 4.961 4.309) 8.069 26.733 ( -7.864 5.004 -13.969) 16.794 27.035 ( -7.593 9.291 10.316) 15.824 31.760 ( -5.015 -0.375 2.748) 5.731 32.031 ( 2.565 -2.598 0.101) 3.652 32.412 ( 1.046 -7.025 4.282) 8.293 32.646 ( 13.145 -9.678 3.409) 16.676 ======================= Grid point 137 (62/75) ======================= q-point: ( 0.29 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 6.204 15.855 -9.238) 19.370 1.650 ( 11.187 1.925 9.693) 14.926 1.779 ( 20.579 21.499 -7.712) 30.743 2.112 ( 0.678 -5.167 3.875) 6.494 2.482 ( -5.408 6.229 -7.442) 11.110 2.671 ( 5.277 -2.431 6.450) 8.681 2.812 ( -0.552 5.531 -5.058) 7.515 2.961 ( -3.888 -4.440 -3.880) 7.063 3.143 ( 2.189 4.414 -1.798) 5.244 3.276 ( -0.633 5.567 4.416) 7.134 3.348 ( 4.956 12.688 -12.128) 18.238 3.602 ( 1.972 -5.415 11.892) 13.215 3.785 ( -1.471 1.104 -3.978) 4.383 3.848 ( -3.633 2.634 1.962) 4.897 3.929 ( -14.040 2.828 -1.260) 14.377 4.046 ( 8.698 6.275 0.979) 10.770 4.202 ( 3.969 -3.987 1.625) 5.855 4.362 ( 2.631 -3.762 0.700) 4.644 4.444 ( 1.397 1.186 4.954) 5.282 4.533 ( 1.835 -3.694 -2.642) 4.899 4.572 ( -2.657 4.431 8.838) 10.237 4.589 ( -3.498 4.236 -5.738) 7.944 4.828 ( 0.599 -6.286 -1.902) 6.595 4.987 ( 1.822 -5.693 -0.862) 6.040 5.058 ( 0.098 2.689 -3.282) 4.244 5.121 ( -1.424 -2.112 3.953) 4.703 5.319 ( -0.416 0.177 5.558) 5.577 5.371 ( 1.169 -0.406 0.559) 1.358 5.479 ( -3.547 -2.631 -0.940) 4.515 5.653 ( 7.022 -3.596 2.142) 8.175 5.677 ( 3.330 -1.452 -4.003) 5.406 5.739 ( 3.715 -2.318 2.002) 4.815 5.949 ( 1.849 1.599 2.218) 3.301 6.003 ( 2.803 3.931 5.264) 7.143 6.065 ( 2.628 -4.675 -0.610) 5.397 6.191 ( 4.678 -1.443 7.928) 9.318 6.371 ( -0.258 -2.559 -3.444) 4.299 6.427 ( 0.721 1.523 -0.400) 1.731 6.500 ( -2.045 -2.745 -2.528) 4.255 6.551 ( -4.302 -1.240 -0.163) 4.480 6.673 ( 6.434 0.114 1.416) 6.589 6.702 ( -0.534 -3.122 0.808) 3.269 6.740 ( 4.961 2.002 -3.705) 6.507 6.845 ( -0.081 -1.135 4.241) 4.391 7.052 ( -0.146 2.442 -2.168) 3.269 7.114 ( -4.953 -0.154 2.130) 5.394 7.251 ( 4.684 2.887 -4.248) 6.951 7.284 ( -0.593 7.880 2.335) 8.240 7.455 ( -4.884 3.149 -6.600) 8.794 7.548 ( 1.483 -4.220 0.100) 4.474 7.610 ( 5.417 -0.497 0.422) 5.456 7.755 ( -3.081 -8.455 7.026) 11.417 7.863 ( -1.325 0.447 -8.646) 8.758 7.934 ( -6.690 -0.719 -3.176) 7.441 8.005 ( -0.264 -0.142 1.125) 1.164 8.197 ( -7.828 0.181 1.272) 7.933 8.268 ( -2.342 -2.738 1.416) 3.871 8.391 ( 2.662 -6.713 -3.744) 8.135 8.424 ( 0.568 6.877 3.546) 7.758 8.481 ( 0.354 -9.417 -1.556) 9.552 8.615 ( -5.414 -0.126 3.071) 6.225 8.696 ( -6.086 4.058 -0.631) 7.342 8.934 ( 2.818 -1.932 -1.648) 3.794 8.987 ( -1.680 0.484 3.851) 4.230 9.249 ( -0.979 -5.095 -9.347) 10.691 9.529 ( -10.309 3.845 -6.730) 12.898 10.016 ( -0.121 -4.277 0.503) 4.308 10.065 ( -0.244 -2.079 4.388) 4.862 10.126 ( 1.104 0.680 10.965) 11.041 10.304 ( 3.897 -2.185 -2.840) 5.294 10.379 ( 0.368 -2.058 2.072) 2.943 10.485 ( 5.170 -0.152 -4.693) 6.984 10.639 ( 6.601 0.873 1.083) 6.746 10.699 ( -1.580 3.766 2.125) 4.604 10.805 ( -0.512 0.518 -4.325) 4.386 11.152 ( -5.050 -5.330 -5.511) 9.180 11.185 ( -4.863 1.242 4.377) 6.659 11.319 ( -1.106 1.525 -4.388) 4.776 12.857 ( 2.559 0.334 -0.951) 2.751 12.946 ( -4.850 1.451 -1.398) 5.252 13.058 ( -7.671 -0.584 0.623) 7.719 13.112 ( -5.161 3.271 -0.157) 6.112 13.755 ( 5.354 -1.281 0.422) 5.522 13.890 ( 2.605 2.574 0.046) 3.663 14.203 ( 3.564 1.534 -1.664) 4.222 14.232 ( 1.541 2.226 0.995) 2.884 15.987 ( -8.019 -0.844 1.268) 8.163 16.100 ( -8.219 -0.451 -1.489) 8.365 16.696 ( 0.639 0.398 -0.502) 0.905 16.708 ( -0.486 1.046 1.136) 1.619 16.934 ( -1.208 0.256 0.634) 1.388 17.021 ( -0.363 0.252 -3.682) 3.709 17.230 ( 3.151 -1.986 -0.832) 3.816 17.277 ( -0.661 -0.138 2.164) 2.267 17.608 ( 11.339 -4.067 0.624) 12.062 17.743 ( 7.213 -0.930 -0.387) 7.283 18.489 ( -0.149 1.599 -0.681) 1.745 18.510 ( -1.177 1.925 0.519) 2.316 18.664 ( 2.398 0.658 0.680) 2.578 18.685 ( 3.257 0.287 -0.872) 3.384 19.313 ( -2.191 -0.044 0.263) 2.207 19.328 ( -2.092 0.558 -0.257) 2.181 20.071 ( 2.323 -0.456 -1.479) 2.791 20.172 ( -2.129 -1.206 3.262) 4.078 20.347 ( -1.986 0.634 1.021) 2.322 20.369 ( -1.672 1.286 -0.868) 2.281 22.425 ( 8.757 -3.479 13.947) 16.831 23.409 ( -1.590 -30.235 -2.897) 30.415 24.591 ( 1.860 2.366 3.655) 4.735 24.760 ( 0.618 3.436 -0.296) 3.503 25.809 ( 2.914 2.628 3.816) 5.473 25.924 ( 5.163 -0.558 -1.038) 5.296 26.117 ( 2.432 2.037 -3.001) 4.367 26.373 ( 0.428 7.258 -5.424) 9.071 26.536 ( 0.569 -0.476 -1.419) 1.601 26.933 ( -10.114 8.810 4.042) 14.009 31.750 ( -0.109 -0.259 3.871) 3.881 32.004 ( -2.423 -1.219 -3.098) 4.118 32.511 ( 2.613 -7.714 7.428) 11.024 32.828 ( 3.404 -15.088 -1.373) 15.528 ======================= Grid point 138 (63/75) ======================= q-point: ( 0.43 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 23.052 9.703 12.674) 28.039 1.793 ( -17.438 1.336 -12.957) 21.766 1.994 ( 6.605 0.638 8.367) 10.679 2.145 ( 24.481 18.283 -5.175) 30.990 2.254 ( -8.735 1.286 -7.672) 11.697 2.548 ( -18.202 16.504 -3.991) 24.892 2.893 ( 2.013 -2.905 9.053) 9.719 2.913 ( 2.225 -3.833 -3.219) 5.478 3.197 ( 4.637 5.149 9.831) 12.028 3.373 ( 2.929 3.197 2.097) 4.816 3.418 ( 9.736 6.580 -6.825) 13.589 3.538 ( -13.113 5.675 -7.338) 16.062 3.678 ( 1.123 -2.365 -4.470) 5.180 3.752 ( -6.991 0.961 1.402) 7.195 3.925 ( 6.270 -0.826 12.116) 13.667 4.183 ( -3.573 0.681 -7.204) 8.070 4.284 ( 3.477 -2.507 2.855) 5.150 4.324 ( 4.061 0.803 -1.739) 4.490 4.401 ( -6.094 1.654 0.090) 6.315 4.464 ( -4.262 2.490 -0.183) 4.940 4.580 ( 6.592 -1.455 -6.498) 9.370 4.625 ( -4.224 -5.290 6.165) 9.156 4.895 ( 8.570 -2.610 -2.043) 9.189 4.962 ( -2.406 -4.192 1.791) 5.155 5.042 ( 6.579 1.297 -5.141) 8.450 5.261 ( -6.640 -1.063 0.832) 6.776 5.335 ( -3.516 3.161 11.417) 12.357 5.398 ( 0.273 1.227 -0.460) 1.338 5.424 ( 3.448 1.318 3.527) 5.106 5.594 ( -5.752 3.173 -8.008) 10.358 5.742 ( 6.815 -2.338 3.083) 7.837 5.845 ( 2.144 -5.476 0.847) 5.941 6.049 ( 3.706 0.944 9.523) 10.263 6.151 ( 7.085 -2.452 8.328) 11.205 6.185 ( 6.602 -5.631 -1.521) 8.810 6.254 ( -5.127 -4.371 -0.827) 6.788 6.319 ( -0.985 -1.730 -6.358) 6.662 6.346 ( -7.572 -1.241 2.778) 8.160 6.388 ( 1.761 -4.384 -1.726) 5.030 6.474 ( -3.843 -2.403 -7.147) 8.463 6.697 ( -2.078 1.402 2.396) 3.468 6.720 ( 0.676 0.637 -5.062) 5.146 6.879 ( 3.233 0.040 -0.990) 3.382 6.909 ( -2.042 1.264 -2.721) 3.630 6.943 ( 10.079 2.221 0.292) 10.325 7.104 ( -6.413 -0.965 3.169) 7.218 7.264 ( -1.322 1.183 3.193) 3.652 7.284 ( 2.031 -0.230 -4.262) 4.727 7.388 ( 5.554 9.228 -3.597) 11.355 7.547 ( -13.611 2.595 4.265) 14.497 7.611 ( 2.369 -3.004 4.478) 5.890 7.725 ( -2.894 0.164 -7.919) 8.433 7.805 ( 1.728 -2.634 2.806) 4.219 7.853 ( 0.650 0.624 -1.875) 2.080 8.013 ( 0.448 0.237 1.072) 1.186 8.104 ( -4.664 -1.249 0.777) 4.890 8.287 ( 0.293 -2.920 -0.480) 2.974 8.318 ( -3.619 -7.001 0.949) 7.938 8.481 ( 6.620 -3.365 -4.891) 8.892 8.526 ( -0.565 -2.889 2.480) 3.849 8.575 ( -1.756 3.896 4.912) 6.511 8.620 ( -2.660 3.036 -0.565) 4.076 8.965 ( 1.005 -2.374 6.223) 6.736 9.075 ( 1.184 2.681 -3.841) 4.832 9.140 ( 6.716 -5.989 -8.721) 12.531 9.307 ( -10.201 1.605 -1.005) 10.375 10.015 ( 0.612 -2.270 0.053) 2.351 10.043 ( -2.435 -1.882 0.581) 3.132 10.289 ( -1.220 -3.471 14.354) 14.818 10.342 ( 4.329 -2.905 -7.355) 9.015 10.438 ( 2.899 -1.934 3.833) 5.180 10.505 ( 1.346 -0.901 -4.498) 4.781 10.693 ( -0.745 2.618 2.467) 3.673 10.731 ( -0.869 2.102 -4.519) 5.059 10.797 ( 7.406 -0.736 1.348) 7.563 10.967 ( -8.246 -2.366 -4.008) 9.469 11.180 ( -1.153 1.426 5.252) 5.563 11.241 ( -2.337 0.776 -4.115) 4.796 12.886 ( 0.323 -0.497 -1.568) 1.676 12.904 ( 1.643 0.380 -1.623) 2.340 12.959 ( -2.358 1.860 2.146) 3.691 13.018 ( -4.883 4.458 0.022) 6.612 13.854 ( 4.493 -1.126 0.179) 4.635 13.907 ( -0.988 0.645 -0.089) 1.183 14.244 ( 2.026 2.171 -0.863) 3.092 14.255 ( 0.005 2.309 0.648) 2.398 15.909 ( -1.726 -0.563 1.592) 2.414 15.957 ( -4.986 -0.405 -1.657) 5.270 16.703 ( 0.404 0.488 -0.057) 0.636 16.708 ( -0.285 0.737 0.268) 0.835 16.942 ( -0.278 0.543 3.263) 3.320 16.978 ( -0.077 0.513 -4.177) 4.209 17.268 ( 1.669 -1.319 -0.365) 2.158 17.282 ( -0.530 -0.692 0.720) 1.131 17.776 ( 5.597 -3.820 1.012) 6.851 17.821 ( 1.542 -2.585 -0.753) 3.103 18.486 ( 0.396 1.813 -0.426) 1.904 18.494 ( -0.903 1.909 0.341) 2.139 18.707 ( 1.054 0.665 1.168) 1.708 18.718 ( 1.327 0.489 -1.263) 1.896 19.288 ( -0.658 0.088 0.236) 0.704 19.295 ( -1.096 0.345 -0.241) 1.174 20.107 ( 3.389 -0.682 -2.020) 4.004 20.148 ( -3.396 -0.939 2.577) 4.365 20.331 ( -0.702 0.418 0.913) 1.225 20.340 ( -0.611 0.665 -0.865) 1.251 22.767 ( 11.807 -7.922 16.330) 21.653 23.149 ( -12.092 -16.800 -15.317) 25.750 24.680 ( 3.129 1.881 2.809) 4.607 24.745 ( -1.885 3.081 -0.749) 3.688 25.902 ( 4.004 6.510 1.820) 7.857 25.968 ( -2.147 7.073 1.969) 7.650 26.150 ( 4.957 -3.855 -1.538) 6.466 26.257 ( -3.405 -2.130 -6.237) 7.418 26.645 ( 5.181 2.188 4.543) 7.230 26.784 ( -7.208 5.531 -1.284) 9.176 31.815 ( 2.376 -0.748 4.569) 5.203 31.913 ( -3.170 -1.065 -4.395) 5.523 32.641 ( 2.755 -8.580 8.921) 12.680 32.775 ( -2.133 -11.557 -8.169) 14.312 ======================= Grid point 142 (64/75) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 5.861 13.976 -5.641) 16.170 1.551 ( -5.861 13.976 5.641) 16.170 1.839 ( -9.884 6.217 -4.308) 12.446 1.839 ( 9.884 6.217 4.308) 12.446 2.528 ( 5.515 2.456 -3.384) 6.921 2.528 ( -5.515 2.456 3.384) 6.921 2.831 ( -4.738 2.609 0.964) 5.494 2.831 ( 4.738 2.609 -0.964) 5.494 3.195 ( -3.508 -1.430 -10.919) 11.558 3.195 ( 3.508 -1.430 10.919) 11.558 3.656 ( -0.067 0.684 -13.469) 13.487 3.656 ( 0.067 0.684 13.469) 13.487 3.846 ( 5.079 7.078 -15.698) 17.953 3.846 ( -5.079 7.078 15.698) 17.953 4.130 ( 8.353 9.718 -9.200) 15.775 4.130 ( -8.353 9.718 9.200) 15.775 4.189 ( 1.048 3.822 -6.977) 8.024 4.189 ( -1.048 3.822 6.977) 8.024 4.496 ( -1.170 1.055 -3.015) 3.402 4.496 ( 1.170 1.055 3.015) 3.402 4.662 ( 0.376 0.118 -9.244) 9.252 4.662 ( -0.376 0.118 9.244) 9.252 4.932 ( -7.896 -2.960 -1.603) 8.584 4.932 ( 7.896 -2.960 1.603) 8.584 5.062 ( -6.925 -7.232 -9.934) 14.105 5.062 ( 6.925 -7.232 9.934) 14.105 5.281 ( -5.263 4.885 -2.041) 7.465 5.281 ( 5.263 4.885 2.041) 7.465 5.469 ( 4.769 -1.352 -2.726) 5.657 5.469 ( -4.769 -1.352 2.726) 5.657 5.620 ( 3.543 0.007 -2.819) 4.527 5.620 ( -3.543 0.007 2.819) 4.527 5.855 ( -9.523 0.699 -3.676) 10.232 5.855 ( 9.523 0.699 3.676) 10.232 6.017 ( 2.078 0.954 -5.937) 6.362 6.017 ( -2.078 0.954 5.937) 6.362 6.382 ( -4.622 -0.346 -3.875) 6.042 6.382 ( 4.622 -0.346 3.875) 6.042 6.442 ( 2.758 0.112 -8.696) 9.124 6.442 ( -2.758 0.112 8.696) 9.124 6.533 ( 1.498 -3.811 -3.370) 5.303 6.533 ( -1.498 -3.811 3.370) 5.303 6.888 ( -0.851 -1.426 -1.115) 2.000 6.888 ( 0.851 -1.426 1.115) 2.000 7.131 ( -5.200 2.724 -2.084) 6.230 7.131 ( 5.200 2.724 2.084) 6.230 7.296 ( -4.347 -1.204 -3.278) 5.576 7.296 ( 4.347 -1.204 3.278) 5.576 7.464 ( 6.895 0.071 -5.741) 8.972 7.464 ( -6.895 0.071 5.741) 8.972 7.595 ( 0.702 -3.282 -3.247) 4.670 7.595 ( -0.702 -3.282 3.247) 4.670 7.918 ( 1.871 -3.687 -4.888) 6.402 7.918 ( -1.871 -3.687 4.888) 6.402 8.164 ( -0.880 -2.596 -5.112) 5.800 8.164 ( 0.880 -2.596 5.112) 5.800 8.303 ( 0.006 -5.061 -0.376) 5.075 8.303 ( -0.006 -5.061 0.376) 5.075 8.545 ( 4.305 1.207 -4.318) 6.216 8.545 ( -4.305 1.207 4.318) 6.216 8.720 ( -2.570 -3.611 -10.332) 11.242 8.720 ( 2.570 -3.611 10.332) 11.242 9.048 ( -3.033 1.334 -4.889) 5.906 9.048 ( 3.033 1.334 4.889) 5.906 9.388 ( -9.652 -5.067 -3.726) 11.520 9.388 ( 9.652 -5.067 3.726) 11.520 9.952 ( 0.569 -3.095 -6.635) 7.343 9.952 ( -0.569 -3.095 6.635) 7.343 10.129 ( 1.253 -2.777 -5.062) 5.908 10.129 ( -1.253 -2.777 5.062) 5.908 10.482 ( -0.811 0.133 -3.994) 4.078 10.482 ( 0.811 0.133 3.994) 4.078 10.696 ( -3.148 -6.733 -3.303) 8.134 10.696 ( 3.148 -6.733 3.303) 8.134 10.925 ( -2.450 3.066 -8.871) 9.701 10.925 ( 2.450 3.066 8.871) 9.701 11.368 ( 5.493 2.025 -4.718) 7.519 11.368 ( -5.493 2.025 4.718) 7.519 12.913 ( -3.887 -1.828 -0.984) 4.407 12.913 ( 3.887 -1.828 0.984) 4.407 13.227 ( 0.836 -0.808 -2.891) 3.116 13.227 ( -0.836 -0.808 2.891) 3.116 13.834 ( -1.599 4.843 -0.636) 5.140 13.834 ( 1.599 4.843 0.636) 5.140 14.180 ( 1.269 1.161 -4.004) 4.358 14.180 ( -1.269 1.161 4.004) 4.358 16.249 ( -2.279 -1.251 -0.523) 2.652 16.249 ( 2.279 -1.251 0.523) 2.652 16.719 ( -0.006 0.927 -1.524) 1.784 16.719 ( 0.006 0.927 1.524) 1.784 17.013 ( -2.459 -1.516 -0.901) 3.026 17.013 ( 2.459 -1.516 0.901) 3.026 17.160 ( -0.068 0.677 -1.578) 1.719 17.160 ( 0.068 0.677 1.578) 1.719 17.439 ( -4.349 -0.439 -0.132) 4.374 17.439 ( 4.349 -0.439 0.132) 4.374 18.550 ( -0.136 1.042 -1.092) 1.516 18.550 ( 0.136 1.042 1.092) 1.516 18.611 ( 0.324 0.560 -0.673) 0.934 18.611 ( -0.324 0.560 0.673) 0.934 19.384 ( 0.644 0.220 -0.790) 1.043 19.384 ( -0.644 0.220 0.790) 1.043 20.089 ( -2.025 -1.289 -0.741) 2.512 20.089 ( 2.025 -1.289 0.741) 2.512 20.461 ( 0.816 2.421 -0.830) 2.686 20.461 ( -0.816 2.421 0.830) 2.686 22.229 ( 6.927 -8.314 -8.138) 13.540 22.229 ( -6.927 -8.314 8.138) 13.540 24.704 ( 0.457 0.560 -5.704) 5.749 24.704 ( -0.457 0.560 5.704) 5.749 25.723 ( 2.458 -3.091 -6.228) 7.375 25.723 ( -2.458 -3.091 6.228) 7.375 26.258 ( -3.630 5.838 -1.497) 7.035 26.258 ( 3.630 5.838 1.497) 7.035 27.125 ( -0.191 6.875 -17.397) 18.707 27.125 ( 0.191 6.875 17.397) 18.707 31.845 ( -7.258 -1.199 1.211) 7.455 31.845 ( 7.258 -1.199 -1.211) 7.455 32.323 ( 0.491 -6.504 -8.510) 10.722 32.323 ( -0.491 -6.504 8.510) 10.722 ======================= Grid point 144 (65/75) ======================= q-point: ( 0.14 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.849 19.324 -8.415) 21.627 1.573 ( -3.622 4.561 3.480) 6.785 1.814 ( 11.813 10.005 0.460) 15.488 2.074 ( 11.575 7.049 -0.885) 13.582 2.485 ( -2.512 -2.254 11.897) 12.366 2.643 ( 3.177 4.664 -1.364) 5.806 2.801 ( 2.246 2.923 -1.914) 4.153 2.921 ( 5.844 1.103 -3.469) 6.885 3.153 ( 8.834 2.941 -4.756) 10.455 3.370 ( 4.927 -4.873 5.701) 8.973 3.527 ( 0.724 4.316 -12.479) 13.225 3.756 ( -2.977 6.388 5.635) 9.023 3.782 ( 1.417 5.099 -6.061) 8.047 3.941 ( -3.419 5.188 7.659) 9.862 3.991 ( -2.945 0.265 5.900) 6.599 4.156 ( 3.591 5.725 -11.501) 13.340 4.248 ( 3.996 7.128 3.361) 8.835 4.280 ( -0.353 3.972 1.745) 4.353 4.392 ( -5.756 2.397 -3.711) 7.256 4.494 ( -2.230 3.182 -0.976) 4.007 4.610 ( 1.390 2.590 5.214) 5.985 4.735 ( 1.148 -4.642 0.748) 4.840 4.781 ( -3.871 -4.864 -2.365) 6.651 4.867 ( -1.559 2.218 1.526) 3.111 5.127 ( -1.106 -2.171 1.996) 3.149 5.150 ( 0.847 -2.089 -6.204) 6.601 5.211 ( 0.771 -5.129 -1.978) 5.551 5.348 ( -2.863 5.078 4.591) 7.420 5.422 ( 0.242 -1.347 0.489) 1.453 5.473 ( -3.614 -4.054 -0.341) 5.441 5.564 ( 7.364 0.759 5.600) 9.283 5.696 ( -3.589 -0.721 7.045) 7.939 5.868 ( 6.932 0.426 2.153) 7.272 5.979 ( 2.791 4.474 -6.884) 8.671 6.026 ( -0.134 0.506 2.434) 2.490 6.143 ( 11.834 -3.183 1.152) 12.309 6.262 ( -1.728 1.698 -1.111) 2.665 6.384 ( 1.316 1.230 -5.639) 5.919 6.436 ( -0.925 -5.617 -0.760) 5.744 6.507 ( 4.014 -2.780 0.044) 4.883 6.593 ( 0.310 -2.975 5.747) 6.479 6.605 ( 3.842 -3.257 4.588) 6.813 6.835 ( -3.890 3.109 2.095) 5.403 6.859 ( -3.802 0.048 -1.736) 4.180 7.044 ( -4.007 -0.995 2.372) 4.761 7.196 ( -1.884 -2.484 1.399) 3.417 7.288 ( 5.073 0.422 0.902) 5.170 7.345 ( -3.753 3.960 1.872) 5.768 7.445 ( 2.955 -0.798 -2.044) 3.681 7.482 ( 1.772 -0.658 0.351) 1.922 7.575 ( 1.756 -2.137 -4.747) 5.494 7.607 ( 0.641 -1.757 0.386) 1.910 7.920 ( 2.685 -5.458 -3.629) 7.083 7.958 ( 1.490 -2.816 2.464) 4.028 8.044 ( -2.568 0.291 -10.842) 11.145 8.198 ( 1.214 -4.169 -2.454) 4.987 8.286 ( -3.982 -4.438 1.422) 6.130 8.294 ( -0.057 -6.178 -1.040) 6.265 8.463 ( -9.486 -0.002 -2.778) 9.885 8.530 ( -4.526 4.039 5.777) 8.377 8.646 ( 3.890 0.858 -0.657) 4.037 8.781 ( -5.178 -4.286 3.783) 7.714 8.924 ( -2.466 -0.521 -4.954) 5.558 9.071 ( -8.005 1.791 4.702) 9.455 9.213 ( -1.767 -4.448 -3.570) 5.971 9.583 ( 5.758 -7.815 2.821) 10.109 9.886 ( -0.348 -3.979 -7.174) 8.211 10.001 ( -0.723 -3.824 4.676) 6.083 10.076 ( -1.596 -2.805 1.799) 3.695 10.220 ( 3.593 -2.137 0.924) 4.281 10.402 ( -4.748 -2.163 -1.962) 5.574 10.502 ( -3.496 2.340 1.799) 4.575 10.596 ( 1.143 1.558 -0.478) 1.991 10.758 ( -0.033 -2.456 2.097) 3.230 10.804 ( 0.226 -1.095 -6.443) 6.539 11.054 ( 1.726 -3.698 0.790) 4.157 11.300 ( -5.621 4.279 5.278) 8.818 11.409 ( 2.764 2.234 -4.864) 6.024 12.847 ( -0.479 0.538 -0.049) 0.722 13.057 ( 6.848 -1.372 -0.252) 6.989 13.134 ( -6.073 -1.565 -3.350) 7.110 13.165 ( -7.934 -1.493 3.721) 8.890 13.788 ( -2.195 5.891 0.262) 6.292 13.896 ( 3.431 3.598 0.278) 4.980 14.181 ( 2.808 0.973 -1.746) 3.447 14.230 ( 2.515 1.647 1.345) 3.293 16.126 ( -9.056 -0.826 0.294) 9.099 16.227 ( -5.162 -1.170 -0.551) 5.322 16.707 ( 0.192 0.702 -1.038) 1.267 16.730 ( -0.469 1.123 1.507) 1.937 16.964 ( -1.331 -0.405 -1.407) 1.978 17.052 ( 1.501 0.040 -1.701) 2.269 17.140 ( 0.330 -0.972 1.683) 1.971 17.240 ( 2.134 -0.748 2.624) 3.464 17.392 ( 3.700 -0.296 -1.471) 3.993 17.575 ( 8.600 -1.838 -1.512) 8.923 18.534 ( -0.252 1.335 -0.745) 1.549 18.558 ( -0.336 1.289 0.471) 1.413 18.633 ( 2.106 0.715 0.390) 2.258 18.638 ( 2.723 0.535 -0.212) 2.783 19.357 ( -2.456 0.232 0.424) 2.503 19.375 ( -1.178 0.364 -0.523) 1.339 20.054 ( -0.812 -0.678 -0.332) 1.109 20.127 ( 0.660 -1.950 1.420) 2.501 20.415 ( -3.323 1.998 0.638) 3.929 20.454 ( -1.613 2.283 -0.791) 2.905 22.164 ( 0.112 -3.272 8.577) 9.181 22.570 ( 22.669 -19.693 -3.940) 30.286 24.645 ( -0.935 2.112 -2.374) 3.312 24.758 ( 0.634 0.048 3.357) 3.417 25.692 ( 1.087 -4.045 0.205) 4.193 25.829 ( 7.298 -2.074 -1.237) 7.687 26.199 ( -1.995 6.215 0.895) 6.588 26.377 ( 6.996 4.741 1.655) 8.611 26.883 ( -7.681 8.939 -15.151) 19.195 27.207 ( -8.416 6.015 13.693) 17.161 31.758 ( -3.981 0.402 2.564) 4.752 31.971 ( 4.981 -2.556 0.028) 5.598 32.241 ( 0.368 -8.302 -3.363) 8.965 32.449 ( 4.862 -9.140 3.206) 10.838 ======================= Grid point 145 (66/75) ======================= q-point: ( 0.29 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.984 16.943 -4.805) 17.639 1.712 ( 9.971 4.499 6.270) 12.609 2.004 ( 4.388 1.505 0.366) 4.653 2.268 ( 14.613 14.107 -5.370) 21.010 2.521 ( -9.167 -1.828 5.096) 10.646 2.689 ( 6.047 0.710 2.705) 6.662 2.862 ( 6.409 3.926 -3.631) 8.347 2.984 ( 4.067 6.701 -4.518) 9.047 3.259 ( -0.015 3.969 4.121) 5.722 3.443 ( -0.083 8.207 -1.184) 8.292 3.498 ( 9.215 -1.644 -7.056) 11.722 3.632 ( -4.819 9.785 0.241) 10.910 3.790 ( -1.174 -0.337 -4.850) 5.002 3.923 ( -4.786 5.166 4.983) 8.627 4.026 ( -11.728 3.521 3.011) 12.610 4.118 ( 8.219 0.836 1.156) 8.342 4.167 ( -2.664 0.151 1.050) 2.867 4.271 ( -3.096 -0.683 -1.708) 3.601 4.407 ( 8.607 -0.238 -0.269) 8.615 4.500 ( -1.336 0.868 -3.862) 4.177 4.600 ( -0.192 -0.321 -5.960) 5.972 4.711 ( 1.068 6.072 -4.550) 7.662 4.774 ( -0.771 -1.712 -1.610) 2.473 4.974 ( -1.527 3.094 3.356) 4.813 5.051 ( 1.280 -3.760 12.194) 12.825 5.071 ( -1.272 -0.727 -1.995) 2.476 5.330 ( -2.659 -3.686 1.883) 4.920 5.340 ( 5.951 -6.165 -1.066) 8.635 5.415 ( 4.075 5.817 6.994) 9.969 5.568 ( 7.437 -4.327 2.348) 8.918 5.637 ( -2.713 -1.975 -1.313) 3.603 5.736 ( 2.279 1.716 -0.048) 2.854 5.941 ( 1.960 -3.144 2.214) 4.316 6.015 ( 1.678 -2.387 1.346) 3.214 6.073 ( 2.317 3.068 1.604) 4.166 6.150 ( -2.594 -1.008 0.948) 2.940 6.305 ( -1.912 -2.761 -5.707) 6.622 6.399 ( 0.344 -2.886 -4.258) 5.155 6.431 ( 1.729 -3.353 3.477) 5.130 6.538 ( -6.850 1.028 4.945) 8.511 6.619 ( 4.806 -3.056 1.206) 5.822 6.701 ( 2.985 0.962 2.547) 4.041 6.790 ( -2.143 0.063 1.618) 2.686 6.854 ( 3.027 3.936 1.598) 5.216 7.050 ( -0.271 -3.083 5.087) 5.954 7.098 ( -2.942 -1.126 -3.113) 4.429 7.314 ( 0.461 2.939 -5.565) 6.310 7.386 ( 1.181 -0.022 0.941) 1.510 7.470 ( -2.576 -1.491 -1.881) 3.521 7.528 ( 6.342 -5.798 5.126) 10.005 7.575 ( 2.615 3.397 -1.567) 4.565 7.644 ( 0.843 1.513 -0.723) 1.877 7.884 ( -2.370 2.008 -9.713) 10.198 7.909 ( 0.046 -4.812 -5.562) 7.355 8.014 ( 2.099 -1.015 -0.035) 2.332 8.141 ( -5.340 -4.354 -0.456) 6.905 8.185 ( -5.632 -2.897 -0.129) 6.334 8.248 ( -4.267 -9.037 0.374) 10.001 8.354 ( 2.702 1.889 -2.299) 4.019 8.561 ( -0.337 1.089 4.911) 5.041 8.599 ( -6.078 3.439 2.433) 7.395 8.737 ( -3.602 -0.926 0.955) 3.840 8.892 ( 1.899 -2.193 -0.089) 2.902 8.976 ( -2.260 -2.095 0.399) 3.108 9.168 ( -0.866 -1.637 -4.792) 5.137 9.552 ( -7.786 -2.694 -4.399) 9.340 9.878 ( 3.716 -6.744 0.117) 7.701 10.006 ( -1.688 -4.853 1.399) 5.325 10.100 ( 0.612 -2.728 5.123) 5.836 10.264 ( 1.632 -2.269 -0.048) 2.795 10.351 ( -1.292 -0.158 3.291) 3.539 10.481 ( 1.200 0.890 -2.293) 2.737 10.659 ( 3.607 -0.694 0.683) 3.736 10.760 ( 1.681 2.289 -2.916) 4.071 10.779 ( 0.383 -3.041 -1.495) 3.410 11.003 ( -5.746 -6.551 -0.676) 8.740 11.266 ( -5.123 5.618 6.456) 9.974 11.371 ( -1.346 2.801 -4.941) 5.837 12.870 ( 3.061 0.227 -3.464) 4.628 12.966 ( -6.312 0.339 -1.314) 6.457 13.031 ( -8.032 -0.741 5.310) 9.657 13.170 ( 1.828 1.188 -1.081) 2.433 13.784 ( 2.299 3.815 -0.097) 4.455 13.943 ( 1.067 2.531 0.041) 2.747 14.234 ( 4.002 1.319 -1.136) 4.364 14.283 ( 1.721 2.080 1.049) 2.896 15.972 ( -7.337 -0.369 0.677) 7.377 16.087 ( -8.242 -0.793 -0.910) 8.330 16.707 ( 0.572 0.556 -0.504) 0.944 16.731 ( -0.616 0.978 0.739) 1.372 16.945 ( -0.470 0.894 0.918) 1.365 17.036 ( -0.271 1.306 -2.804) 3.105 17.186 ( 2.523 -2.077 0.930) 3.398 17.263 ( -1.088 -1.122 2.344) 2.817 17.531 ( 10.317 -2.877 -1.063) 10.764 17.697 ( 5.917 -3.292 -1.449) 6.925 18.528 ( 0.280 1.913 -0.568) 2.015 18.551 ( -0.739 1.803 0.342) 1.978 18.683 ( 2.486 1.017 0.703) 2.777 18.693 ( 3.300 0.493 -0.601) 3.390 19.315 ( -2.210 0.255 0.336) 2.250 19.338 ( -2.073 0.379 -0.468) 2.159 20.056 ( 1.429 -0.908 -0.711) 1.837 20.137 ( -1.263 -2.075 1.785) 3.014 20.368 ( -2.152 1.428 0.459) 2.623 20.405 ( -2.384 1.901 -0.827) 3.159 22.337 ( 7.475 -4.515 9.526) 12.923 22.823 ( 8.770 -23.270 -6.576) 25.722 24.651 ( 3.034 2.850 -0.206) 4.168 24.793 ( -0.469 0.226 2.941) 2.987 25.766 ( 6.236 -5.643 0.917) 8.460 25.943 ( 7.265 -0.957 -3.125) 7.966 26.192 ( -1.610 5.458 3.312) 6.584 26.536 ( 8.093 4.434 1.819) 9.405 26.587 ( -9.825 10.399 -10.621) 17.818 27.104 ( -12.806 6.172 6.542) 15.649 31.748 ( -0.439 0.193 3.246) 3.282 31.973 ( -2.665 -1.559 -2.033) 3.696 32.297 ( 6.387 -11.220 -0.246) 12.913 32.530 ( 1.332 -12.407 0.704) 12.499 ======================= Grid point 146 (67/75) ======================= q-point: ( 0.43 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 15.227 10.367 8.263) 20.190 1.823 ( -10.261 1.869 -6.372) 12.222 2.035 ( 8.787 3.914 2.118) 9.850 2.255 ( -10.330 1.635 -4.480) 11.377 2.582 ( 17.008 14.461 -2.664) 22.483 2.791 ( -4.700 0.629 5.034) 6.915 2.926 ( 1.401 5.282 0.794) 5.522 2.949 ( -0.746 11.846 -4.956) 12.862 3.299 ( 1.819 5.535 8.976) 10.701 3.456 ( -1.311 4.148 -4.935) 6.578 3.583 ( 4.237 3.967 -1.635) 6.030 3.645 ( 4.908 1.174 -5.919) 7.778 3.652 ( -3.469 7.305 0.986) 8.146 3.804 ( -7.341 4.279 -0.430) 8.509 3.959 ( -1.927 3.652 8.004) 9.006 4.090 ( -4.692 -5.506 -4.694) 8.624 4.258 ( 4.775 -1.544 0.370) 5.032 4.346 ( 1.678 -1.086 3.729) 4.231 4.399 ( 2.134 1.082 -1.432) 2.788 4.485 ( -0.672 -3.290 2.000) 3.908 4.546 ( -3.433 4.399 -1.176) 5.702 4.598 ( -1.955 1.759 -7.242) 7.705 4.856 ( 7.693 -1.436 -6.019) 9.873 4.910 ( -6.237 -0.897 5.919) 8.645 5.062 ( 6.421 0.201 -0.838) 6.478 5.221 ( -3.885 -2.417 -3.073) 5.512 5.340 ( 3.689 -2.424 8.446) 9.530 5.434 ( 3.972 0.301 7.714) 8.682 5.470 ( -1.764 1.964 -2.153) 3.406 5.641 ( -2.941 -0.662 -8.573) 9.088 5.690 ( 5.469 -2.952 2.222) 6.600 5.747 ( 2.264 -4.555 2.191) 5.538 6.022 ( 1.355 -6.045 6.723) 9.142 6.071 ( -0.187 -3.299 2.102) 3.916 6.106 ( -0.672 -0.123 5.081) 5.127 6.133 ( 0.621 -6.469 -6.023) 8.860 6.183 ( 2.083 -2.972 -2.910) 4.652 6.324 ( -10.011 0.058 1.450) 10.116 6.376 ( 1.470 3.088 1.797) 3.864 6.519 ( -2.130 3.466 -8.598) 9.512 6.693 ( 2.527 -1.731 3.465) 4.625 6.718 ( -2.924 0.230 5.040) 5.832 6.877 ( 5.037 1.249 -0.361) 5.202 6.901 ( -0.568 -0.073 2.107) 2.183 7.046 ( 2.520 2.142 -2.457) 4.120 7.099 ( -0.665 -0.284 -0.249) 0.765 7.276 ( 1.471 1.044 -3.188) 3.663 7.311 ( -4.208 1.891 -1.452) 4.837 7.509 ( 4.567 -0.936 3.053) 5.572 7.599 ( -2.833 1.836 3.767) 5.058 7.605 ( 0.144 4.225 -3.280) 5.351 7.663 ( 2.063 -6.050 -2.345) 6.808 7.749 ( -1.724 -0.365 -3.112) 3.577 7.820 ( -5.564 -4.650 -1.289) 7.365 8.044 ( 2.672 2.009 0.598) 3.396 8.090 ( -0.214 0.321 -0.099) 0.399 8.143 ( -2.011 -6.194 2.829) 7.100 8.180 ( -2.179 -9.270 -2.734) 9.907 8.424 ( 6.966 0.062 -3.213) 7.672 8.512 ( -5.898 0.643 4.188) 7.262 8.648 ( 1.934 3.196 2.805) 4.671 8.677 ( -1.097 1.452 -1.312) 2.243 8.899 ( -2.592 -3.659 7.922) 9.103 8.987 ( 0.948 -6.804 -9.368) 11.616 9.150 ( 7.503 2.441 -1.643) 8.059 9.339 ( -11.078 0.819 -1.497) 11.209 9.936 ( 1.946 -5.097 0.642) 5.494 9.976 ( -1.898 -4.553 -0.447) 4.953 10.200 ( 1.959 -5.120 8.169) 9.838 10.275 ( 0.877 -3.732 -4.051) 5.578 10.390 ( 1.092 -1.675 4.475) 4.902 10.458 ( -0.560 -2.917 -4.658) 5.525 10.713 ( 1.906 -1.596 0.825) 2.619 10.760 ( -1.369 0.738 -1.451) 2.126 10.798 ( 5.185 0.845 -2.118) 5.664 10.886 ( -6.179 -3.963 0.790) 7.383 11.245 ( -2.917 4.416 5.679) 7.763 11.288 ( -1.621 3.193 -4.884) 6.057 12.844 ( 0.179 -2.730 -2.350) 3.607 12.874 ( -3.862 -2.695 -0.199) 4.713 13.043 ( 2.507 5.171 4.373) 7.221 13.134 ( -3.075 5.229 -2.284) 6.482 13.857 ( 4.764 1.513 0.044) 4.998 13.929 ( -2.539 1.534 -0.178) 2.972 14.288 ( 2.512 1.817 -0.627) 3.163 14.306 ( -0.187 2.146 0.689) 2.262 15.899 ( -1.207 -0.198 0.959) 1.554 15.948 ( -5.195 -0.400 -1.033) 5.311 16.715 ( 0.615 0.546 -0.132) 0.833 16.724 ( -0.558 0.700 0.141) 0.906 16.962 ( 0.147 1.451 2.835) 3.188 16.998 ( -0.422 1.503 -3.281) 3.633 17.234 ( 1.974 -1.864 0.175) 2.721 17.259 ( -1.152 -1.495 0.804) 2.051 17.685 ( 6.106 -4.324 0.419) 7.494 17.745 ( 0.481 -4.288 -1.185) 4.474 18.532 ( 0.591 2.308 -0.410) 2.418 18.540 ( -0.750 2.242 0.328) 2.387 18.725 ( 1.023 0.972 0.912) 1.680 18.731 ( 1.442 0.734 -0.889) 1.846 19.292 ( -0.570 0.223 0.293) 0.678 19.302 ( -1.265 0.269 -0.355) 1.341 20.084 ( 2.550 -1.443 -1.242) 3.182 20.118 ( -2.528 -1.878 1.647) 3.554 20.349 ( -0.466 1.304 0.622) 1.518 20.363 ( -1.166 1.518 -0.805) 2.077 22.577 ( 7.361 -9.189 10.431) 15.730 22.779 ( -2.880 -16.489 -9.972) 19.483 24.726 ( 4.677 2.059 -0.484) 5.133 24.787 ( -3.023 1.069 1.996) 3.777 25.914 ( 6.826 -7.710 2.968) 10.717 26.007 ( 2.102 -4.943 -4.182) 6.807 26.205 ( 0.522 9.026 3.806) 9.809 26.332 ( -8.065 12.647 -5.878) 16.110 26.716 ( 9.287 4.175 1.800) 10.340 26.911 ( -11.489 5.504 0.742) 12.761 31.798 ( 2.020 -0.732 3.709) 4.287 31.885 ( -3.365 -1.456 -3.460) 5.041 32.416 ( 5.391 -11.618 1.535) 12.900 32.509 ( -2.785 -12.456 -1.535) 12.855 ======================= Grid point 150 (68/75) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -2.932 4.125 -5.049) 7.149 1.779 ( 2.932 4.125 5.049) 7.149 1.922 ( -2.057 3.955 -3.246) 5.514 1.922 ( 2.057 3.955 3.246) 5.514 2.603 ( -10.717 4.774 1.244) 11.798 2.603 ( 10.717 4.774 -1.244) 11.798 2.965 ( -3.014 8.924 -0.800) 9.453 2.965 ( 3.014 8.924 0.800) 9.453 3.169 ( -0.331 -0.117 -7.277) 7.286 3.169 ( 0.331 -0.117 7.277) 7.286 3.551 ( -6.533 -4.929 -8.115) 11.525 3.551 ( 6.533 -4.929 8.115) 11.525 3.915 ( 4.555 -0.568 -8.695) 9.832 3.915 ( -4.555 -0.568 8.695) 9.832 4.259 ( -5.519 3.506 -4.369) 7.864 4.259 ( 5.519 3.506 4.369) 7.864 4.379 ( -5.260 3.424 -0.705) 6.315 4.379 ( 5.260 3.424 0.705) 6.315 4.517 ( -1.407 2.719 -3.004) 4.289 4.517 ( 1.407 2.719 3.004) 4.289 4.746 ( -9.385 3.840 1.800) 10.298 4.746 ( 9.385 3.840 -1.800) 10.298 4.891 ( -0.273 1.079 -3.709) 3.872 4.891 ( 0.273 1.079 3.709) 3.872 4.959 ( -8.684 0.332 -4.102) 9.610 4.959 ( 8.684 0.332 4.102) 9.610 5.352 ( -1.299 -0.592 -2.163) 2.592 5.352 ( 1.299 -0.592 2.163) 2.592 5.484 ( 1.318 3.190 -10.360) 10.920 5.484 ( -1.318 3.190 10.360) 10.920 5.616 ( 2.311 0.640 -6.297) 6.738 5.616 ( -2.311 0.640 6.297) 6.738 5.833 ( -1.014 -1.178 -4.913) 5.153 5.833 ( 1.014 -1.178 4.913) 5.153 6.071 ( 4.366 3.278 -4.334) 6.970 6.071 ( -4.366 3.278 4.334) 6.970 6.326 ( -0.556 -4.729 -3.852) 6.125 6.326 ( 0.556 -4.729 3.852) 6.125 6.405 ( -0.013 -1.819 -6.324) 6.580 6.405 ( 0.013 -1.819 6.324) 6.580 6.545 ( 0.753 4.047 -5.275) 6.691 6.545 ( -0.753 4.047 5.275) 6.691 6.875 ( 0.771 -0.671 -1.416) 1.747 6.875 ( -0.771 -0.671 1.416) 1.747 7.173 ( -8.131 -0.150 -8.057) 11.448 7.173 ( 8.131 -0.150 8.057) 11.448 7.191 ( -0.007 -2.878 -2.468) 3.792 7.191 ( 0.007 -2.878 2.468) 3.792 7.474 ( 2.596 -0.048 -4.336) 5.054 7.474 ( -2.596 -0.048 4.336) 5.054 7.604 ( -1.151 2.086 -2.393) 3.376 7.604 ( 1.151 2.086 2.393) 3.376 7.835 ( -1.776 -4.036 -2.870) 5.261 7.835 ( 1.776 -4.036 2.870) 5.261 8.070 ( -1.611 -6.881 -2.515) 7.501 8.070 ( 1.611 -6.881 2.515) 7.501 8.212 ( 3.243 -3.411 -8.264) 9.511 8.212 ( -3.243 -3.411 8.264) 9.511 8.486 ( 2.433 -5.854 -1.808) 6.592 8.486 ( -2.433 -5.854 1.808) 6.592 8.710 ( 0.490 2.296 -7.061) 7.441 8.710 ( -0.490 2.296 7.061) 7.441 9.074 ( -6.259 0.170 -0.696) 6.300 9.074 ( 6.259 0.170 0.696) 6.300 9.277 ( -6.894 -3.288 -1.389) 7.763 9.277 ( 6.894 -3.288 1.389) 7.763 9.864 ( -3.786 -6.671 -3.106) 8.275 9.864 ( 3.786 -6.671 3.106) 8.275 10.071 ( -2.594 -1.544 -1.916) 3.575 10.071 ( 2.594 -1.544 1.916) 3.575 10.443 ( -0.596 -1.957 -4.356) 4.812 10.443 ( 0.596 -1.957 4.356) 4.812 10.622 ( 2.669 -1.434 -3.353) 4.519 10.622 ( -2.669 -1.434 3.353) 4.519 10.973 ( -0.774 1.323 -7.311) 7.470 10.973 ( 0.774 1.323 7.311) 7.470 11.427 ( 3.305 3.170 -3.696) 5.885 11.427 ( -3.305 3.170 3.696) 5.885 12.892 ( -4.086 -0.327 0.878) 4.192 12.892 ( 4.086 -0.327 -0.878) 4.192 13.211 ( 0.754 -0.681 -1.630) 1.921 13.211 ( -0.754 -0.681 1.630) 1.921 13.936 ( 0.306 4.760 -2.537) 5.402 13.936 ( -0.306 4.760 2.537) 5.402 14.189 ( 1.108 -0.412 -4.363) 4.521 14.189 ( -1.108 -0.412 4.363) 4.521 16.222 ( -2.171 -1.178 -0.493) 2.519 16.222 ( 2.171 -1.178 0.493) 2.519 16.733 ( -0.380 0.449 -0.805) 0.997 16.733 ( 0.380 0.449 0.805) 0.997 17.004 ( -2.441 0.393 -0.253) 2.486 17.004 ( 2.441 0.393 0.253) 2.486 17.182 ( -0.032 1.435 -1.226) 1.888 17.182 ( 0.032 1.435 1.226) 1.888 17.410 ( -5.385 -2.047 1.312) 5.909 17.410 ( 5.385 -2.047 -1.312) 5.909 18.568 ( -0.385 0.729 -0.220) 0.853 18.568 ( 0.385 0.729 0.220) 0.853 18.620 ( 0.095 0.234 -0.849) 0.885 18.620 ( -0.095 0.234 0.849) 0.885 19.390 ( 0.601 0.316 -0.655) 0.944 19.390 ( -0.601 0.316 0.655) 0.944 20.054 ( -0.965 -1.798 -0.159) 2.047 20.054 ( 0.965 -1.798 0.159) 2.047 20.508 ( -0.380 1.988 -0.333) 2.051 20.508 ( 0.380 1.988 0.333) 2.051 22.091 ( 6.168 -4.829 -6.353) 10.086 22.091 ( -6.168 -4.829 6.353) 10.086 24.714 ( 0.715 0.393 -4.283) 4.360 24.714 ( -0.715 0.393 4.283) 4.360 25.630 ( 0.911 -4.928 -4.593) 6.798 25.630 ( -0.911 -4.928 4.593) 6.798 26.401 ( -3.155 6.845 -0.425) 7.549 26.401 ( 3.155 6.845 0.425) 7.549 27.242 ( -0.519 4.157 -10.902) 11.679 27.242 ( 0.519 4.157 10.902) 11.679 31.847 ( 0.394 1.341 -0.385) 1.450 31.847 ( -0.394 1.341 0.385) 1.450 32.176 ( -0.115 -7.172 -6.093) 9.412 32.176 ( 0.115 -7.172 6.093) 9.412 ======================= Grid point 152 (69/75) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -2.113 2.588 -7.906) 8.583 1.817 ( -5.436 13.352 6.002) 15.616 1.968 ( 7.243 5.716 -2.508) 9.561 2.107 ( 16.285 -2.673 -1.087) 16.539 2.460 ( -6.868 0.219 9.411) 11.653 2.705 ( -0.474 2.020 -3.205) 3.819 2.931 ( 1.875 7.632 -1.568) 8.014 3.062 ( 11.606 9.385 -5.964) 16.074 3.200 ( 3.013 1.241 0.987) 3.405 3.327 ( 10.376 3.799 3.499) 11.591 3.425 ( 2.084 -8.376 -4.860) 9.906 3.750 ( 2.628 -3.690 9.479) 10.506 3.849 ( -1.678 0.378 -0.006) 1.720 3.983 ( 2.359 -0.312 -4.800) 5.357 4.122 ( -6.089 7.260 -3.698) 10.171 4.232 ( -0.387 4.177 -1.854) 4.587 4.361 ( -7.268 1.498 -2.983) 7.998 4.452 ( 3.894 4.058 -3.642) 6.701 4.491 ( -1.643 5.891 -1.068) 6.208 4.587 ( 1.198 -0.824 5.254) 5.452 4.612 ( -3.032 -3.414 3.716) 5.887 4.672 ( -6.067 1.688 3.471) 7.190 4.794 ( -1.319 11.688 -2.120) 11.952 4.916 ( 7.649 -4.313 1.656) 8.936 5.036 ( 1.975 4.229 -1.816) 5.008 5.096 ( 0.050 -3.375 -4.706) 5.791 5.258 ( -6.336 6.227 -2.064) 9.120 5.370 ( -3.697 -0.936 3.498) 5.175 5.420 ( -3.926 -2.203 2.690) 5.244 5.480 ( 0.904 1.079 -1.711) 2.216 5.593 ( 3.756 0.444 3.880) 5.418 5.630 ( -1.874 -0.044 8.501) 8.705 5.884 ( 1.276 1.643 -0.360) 2.111 5.989 ( 2.303 -4.284 1.490) 5.087 6.071 ( 10.684 -0.447 1.665) 10.822 6.093 ( 3.731 4.981 -6.694) 9.140 6.251 ( -3.348 -6.558 -5.240) 9.037 6.378 ( 0.586 2.292 1.348) 2.723 6.399 ( 2.858 -3.959 0.084) 4.883 6.425 ( -3.746 -0.972 -3.916) 5.505 6.545 ( 5.330 -4.164 4.450) 8.096 6.634 ( 4.544 9.018 5.585) 11.540 6.833 ( -7.395 -0.036 2.796) 7.906 6.892 ( 0.395 -1.162 5.544) 5.678 7.033 ( -2.315 2.787 -1.125) 3.793 7.124 ( -2.252 -0.675 -1.225) 2.651 7.223 ( 1.752 -5.946 -1.609) 6.405 7.369 ( -1.086 -0.603 3.272) 3.500 7.442 ( 4.941 0.299 -2.429) 5.514 7.501 ( -2.820 -0.681 -0.231) 2.910 7.573 ( 5.032 2.253 -0.988) 5.601 7.647 ( 2.274 2.496 -0.006) 3.376 7.776 ( -0.252 -5.384 -3.707) 6.541 7.868 ( -0.709 -5.367 0.945) 5.495 8.005 ( -0.872 -4.683 -6.337) 7.928 8.104 ( 2.279 -6.046 -5.811) 8.690 8.193 ( 0.195 -3.697 1.519) 4.002 8.223 ( -2.606 -2.017 2.482) 4.125 8.434 ( -5.126 -2.814 3.227) 6.679 8.545 ( 3.551 -7.394 -0.231) 8.205 8.622 ( -2.887 3.773 -0.215) 4.756 8.775 ( -2.302 2.761 2.535) 4.399 8.929 ( -5.268 0.500 -1.072) 5.399 9.060 ( -10.937 -1.906 1.295) 11.177 9.190 ( 2.201 1.675 -2.551) 3.763 9.381 ( 3.104 -9.472 0.117) 9.968 9.782 ( -0.836 -6.770 -2.785) 7.368 9.919 ( 1.805 -1.487 -3.543) 4.245 10.034 ( -0.938 -3.115 2.490) 4.096 10.140 ( 2.640 -5.180 -0.677) 5.854 10.388 ( -2.849 1.074 2.328) 3.833 10.489 ( -1.424 -1.699 4.736) 5.229 10.618 ( 0.648 0.077 -0.283) 0.711 10.662 ( 4.663 -3.065 -3.175) 6.420 10.858 ( -2.519 3.250 -5.745) 7.065 10.993 ( -5.142 -2.372 4.118) 7.002 11.406 ( -2.920 4.766 4.355) 7.085 11.458 ( 1.743 2.231 -2.656) 3.882 12.871 ( 1.144 1.579 -0.268) 1.968 13.001 ( 7.418 -2.863 -1.545) 8.100 13.126 ( -7.526 0.033 -0.015) 7.526 13.139 ( -7.357 -0.875 2.078) 7.695 13.910 ( -1.016 5.421 -1.227) 5.650 13.972 ( 1.662 3.474 0.848) 3.943 14.194 ( 3.385 0.170 -1.932) 3.901 14.245 ( 2.585 -0.288 2.196) 3.404 16.117 ( -7.900 0.009 -0.085) 7.901 16.196 ( -5.262 -1.724 0.071) 5.537 16.720 ( -0.104 0.595 -0.667) 0.900 16.745 ( 0.070 0.215 0.382) 0.444 16.973 ( -0.779 1.300 0.104) 1.519 17.059 ( 3.258 0.186 -0.432) 3.292 17.137 ( -2.697 0.871 1.686) 3.298 17.231 ( 0.348 -0.341 1.717) 1.784 17.385 ( 3.769 -0.208 -1.514) 4.067 17.517 ( 7.401 -3.345 -2.038) 8.374 18.558 ( 0.006 0.995 -0.181) 1.012 18.578 ( 0.454 0.653 -0.332) 0.862 18.643 ( 2.809 0.352 -0.170) 2.836 18.651 ( 2.272 0.483 0.693) 2.425 19.364 ( -2.346 0.443 0.359) 2.414 19.381 ( -1.224 0.144 -0.510) 1.334 20.035 ( -0.573 -0.953 0.133) 1.120 20.079 ( 0.988 -2.375 0.201) 2.580 20.460 ( -3.513 2.186 0.150) 4.140 20.495 ( -2.201 1.526 -0.396) 2.707 22.103 ( 2.992 -2.253 5.086) 6.316 22.264 ( 14.498 -10.116 -4.471) 18.235 24.685 ( 0.522 1.746 -2.038) 2.734 24.752 ( 0.423 -0.507 2.982) 3.055 25.601 ( 1.048 -3.968 -0.812) 4.183 25.721 ( 5.206 -6.877 0.962) 8.678 26.365 ( -0.795 8.489 0.375) 8.534 26.488 ( 5.724 5.070 0.781) 7.686 27.069 ( -6.675 8.085 -9.696) 14.280 27.285 ( -6.605 1.589 8.592) 10.953 31.782 ( -3.520 2.005 2.249) 4.633 31.943 ( 5.546 0.036 -0.848) 5.610 32.080 ( -2.781 -6.941 -3.216) 8.140 32.261 ( 2.502 -8.606 2.207) 9.230 ======================= Grid point 153 (70/75) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.476 8.279 -5.264) 9.823 1.858 ( 2.585 6.543 5.284) 8.798 2.064 ( 4.505 5.576 -0.565) 7.190 2.365 ( 6.140 -2.794 0.047) 6.746 2.507 ( 6.950 0.521 1.907) 7.225 2.679 ( 2.607 0.037 -0.661) 2.690 3.003 ( 5.305 7.365 0.817) 9.114 3.165 ( 4.780 2.296 -3.181) 6.184 3.283 ( 6.783 5.235 -2.363) 8.888 3.457 ( 6.257 -6.298 -3.548) 9.560 3.536 ( 5.360 5.529 -2.101) 7.982 3.763 ( -7.167 3.168 3.075) 8.417 3.800 ( -2.755 2.312 4.051) 5.417 3.995 ( -0.602 -1.661 -0.086) 1.769 4.063 ( 0.138 1.912 0.730) 2.051 4.159 ( 0.341 5.051 -2.851) 5.810 4.291 ( -3.196 5.970 -0.202) 6.775 4.319 ( -6.583 9.479 0.997) 11.584 4.468 ( 2.716 1.933 -2.805) 4.356 4.530 ( -4.917 -2.346 -2.265) 5.900 4.606 ( -6.428 3.729 -0.303) 7.437 4.709 ( 5.178 -3.345 -4.180) 7.448 4.887 ( 0.403 6.159 -3.101) 6.907 4.966 ( 1.108 -2.178 8.969) 9.296 4.997 ( 0.080 -0.841 0.677) 1.082 5.100 ( -2.191 -0.019 -0.013) 2.191 5.193 ( 9.143 -0.346 -1.677) 9.302 5.290 ( -2.852 -0.023 -0.499) 2.895 5.431 ( -1.052 -9.355 0.797) 9.448 5.499 ( 0.482 -0.538 0.089) 0.728 5.643 ( -4.204 1.999 6.793) 8.235 5.748 ( 3.028 -0.408 1.175) 3.274 5.876 ( 1.974 2.307 3.680) 4.771 5.989 ( -1.769 -5.998 -2.617) 6.779 6.055 ( 0.041 1.826 -4.979) 5.304 6.173 ( 0.816 0.397 -0.902) 1.280 6.257 ( -4.064 -1.997 -4.276) 6.228 6.347 ( 5.228 -3.981 2.190) 6.926 6.439 ( 3.164 -2.777 6.378) 7.642 6.463 ( 3.457 -2.379 1.677) 4.519 6.685 ( -5.718 6.957 9.063) 12.776 6.725 ( 5.253 5.621 0.146) 7.695 6.822 ( 4.275 3.730 2.507) 6.203 6.938 ( -5.552 -0.545 1.417) 5.755 6.974 ( 2.355 1.097 3.349) 4.239 7.090 ( 0.652 1.021 -2.510) 2.788 7.276 ( 5.083 -5.913 1.012) 7.862 7.354 ( -1.772 -1.294 -4.837) 5.312 7.445 ( -4.601 -1.968 -2.832) 5.750 7.460 ( 4.305 -1.886 3.838) 6.068 7.617 ( 0.563 2.749 0.729) 2.899 7.715 ( 0.618 -4.331 -1.139) 4.520 7.759 ( 0.623 -0.654 -5.685) 5.756 7.865 ( 1.571 -4.812 -3.772) 6.313 7.926 ( 1.884 -3.887 -5.481) 6.978 8.044 ( -4.437 -4.091 -0.746) 6.081 8.177 ( -1.305 0.421 -2.415) 2.777 8.214 ( -0.723 1.126 1.249) 1.830 8.377 ( -2.833 -0.215 2.737) 3.945 8.550 ( -2.761 1.313 -2.206) 3.770 8.624 ( 3.205 -7.802 0.549) 8.452 8.723 ( -2.434 5.198 3.887) 6.932 8.875 ( -3.135 0.880 -1.499) 3.584 8.911 ( -5.339 -3.413 2.720) 6.896 9.166 ( -1.663 0.040 -1.773) 2.431 9.397 ( -1.589 -10.586 -0.960) 10.748 9.784 ( 2.699 -2.931 -0.896) 4.084 9.900 ( 1.279 -2.447 -4.520) 5.297 10.049 ( 0.225 -2.631 1.360) 2.971 10.162 ( 0.058 -8.225 1.331) 8.332 10.385 ( -1.885 3.285 4.658) 6.003 10.477 ( -3.568 -0.560 2.316) 4.291 10.628 ( 2.212 -0.899 -2.994) 3.829 10.715 ( 4.474 -3.272 -3.886) 6.770 10.815 ( 1.512 2.315 -1.586) 3.187 10.904 ( -7.154 -2.756 3.274) 8.336 11.381 ( -5.133 4.658 4.956) 8.521 11.425 ( -1.875 2.257 -3.186) 4.331 12.863 ( -2.241 -0.465 -3.421) 4.116 12.939 ( -7.426 -2.312 -2.036) 8.040 13.056 ( -1.060 2.380 5.055) 5.687 13.170 ( 5.373 -0.740 0.652) 5.462 13.884 ( 0.150 5.050 -1.175) 5.187 13.993 ( -0.093 2.013 -0.121) 2.019 14.257 ( 4.337 0.887 -0.744) 4.489 14.308 ( 1.971 0.267 1.487) 2.484 15.975 ( -6.746 0.676 0.224) 6.784 16.065 ( -7.898 -1.291 -0.277) 8.007 16.718 ( 0.366 0.521 -0.380) 0.742 16.743 ( -0.325 0.124 -0.129) 0.371 16.976 ( 0.201 2.186 1.487) 2.651 17.077 ( -0.474 2.506 -1.730) 3.082 17.143 ( 1.519 -2.087 1.952) 3.236 17.233 ( -1.231 -1.737 1.507) 2.609 17.492 ( 8.101 -0.856 -1.587) 8.300 17.617 ( 5.170 -4.014 -1.822) 6.794 18.564 ( 0.696 1.429 -0.214) 1.604 18.581 ( 0.175 1.054 -0.112) 1.075 18.701 ( 3.116 0.599 0.078) 3.174 18.705 ( 2.821 0.616 0.321) 2.905 19.322 ( -2.249 0.421 0.248) 2.302 19.343 ( -2.166 0.024 -0.447) 2.212 20.037 ( 0.677 -0.805 -0.202) 1.071 20.088 ( -0.459 -2.365 0.570) 2.476 20.405 ( -2.396 1.909 0.187) 3.069 20.441 ( -2.804 1.334 -0.489) 3.144 22.253 ( 6.701 -3.113 5.146) 9.004 22.451 ( 9.489 -12.603 -4.761) 16.478 24.704 ( 3.300 2.241 -1.324) 4.203 24.787 ( 0.076 -0.569 2.885) 2.941 25.648 ( 4.969 -4.840 -1.207) 7.041 25.811 ( 2.731 -8.929 1.172) 9.411 26.379 ( 1.737 10.397 1.103) 10.599 26.621 ( 7.956 3.460 0.920) 8.725 26.837 ( -9.416 11.516 -6.551) 16.254 27.180 ( -11.185 1.201 4.273) 12.034 31.764 ( -0.996 1.440 2.379) 2.954 31.943 ( -3.755 -1.485 -1.416) 4.279 32.096 ( 6.806 -7.078 -2.295) 10.084 32.300 ( -0.403 -9.673 1.568) 9.807 ======================= Grid point 154 (71/75) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 9.334 6.229 4.919) 12.252 1.858 ( -6.493 0.452 -4.083) 7.683 2.152 ( 7.180 6.880 -1.052) 9.999 2.289 ( -9.122 1.561 1.755) 9.419 2.715 ( 13.607 0.906 -7.880) 15.750 2.762 ( 0.044 -2.028 7.172) 7.453 3.093 ( 2.363 8.683 4.623) 10.117 3.190 ( 0.782 9.981 -6.258) 11.806 3.382 ( 3.876 0.274 2.009) 4.374 3.459 ( -1.046 -4.266 -6.317) 7.694 3.612 ( 8.555 4.274 -3.138) 10.066 3.729 ( -5.068 5.318 8.236) 11.036 3.755 ( -0.770 2.322 4.893) 5.471 3.912 ( -5.730 3.604 -6.166) 9.156 4.028 ( 0.676 1.102 -5.494) 5.645 4.124 ( -8.079 6.810 3.926) 11.272 4.312 ( 0.045 7.765 1.406) 7.891 4.322 ( -0.935 1.039 1.680) 2.186 4.402 ( 4.529 -2.330 2.238) 5.563 4.491 ( 1.155 1.468 -2.385) 3.030 4.574 ( 1.306 0.839 1.993) 2.527 4.703 ( -4.312 6.595 -5.597) 9.665 4.835 ( 6.608 -0.291 -7.545) 10.034 4.916 ( -7.324 0.473 3.971) 8.344 5.075 ( 1.764 1.164 3.276) 3.899 5.184 ( -1.121 -0.302 -3.645) 3.825 5.221 ( 3.645 -8.762 5.500) 10.969 5.363 ( -2.672 -10.949 -0.844) 11.302 5.409 ( 6.957 -5.994 1.622) 9.325 5.541 ( 1.376 -4.623 1.636) 5.093 5.613 ( -1.350 -0.797 1.565) 2.215 5.662 ( -5.934 -2.753 -6.190) 9.006 5.952 ( 1.860 -4.551 2.268) 5.414 6.003 ( 0.385 1.471 5.489) 5.696 6.063 ( 2.663 -0.645 -3.844) 4.720 6.133 ( -3.458 2.801 -1.614) 4.734 6.233 ( 4.424 1.814 0.323) 4.792 6.335 ( -4.773 -2.930 -0.893) 5.671 6.492 ( 3.467 6.237 1.985) 7.407 6.590 ( -3.794 7.854 2.164) 8.987 6.662 ( 2.674 -0.211 4.472) 5.215 6.749 ( -4.251 2.689 1.030) 5.134 6.903 ( 2.845 0.391 1.948) 3.470 6.933 ( 1.721 3.380 0.754) 3.867 7.041 ( 0.370 -0.736 4.301) 4.379 7.083 ( 1.322 -1.388 -5.233) 5.573 7.296 ( 1.873 0.001 -5.597) 5.902 7.322 ( -4.602 -1.155 -0.378) 4.760 7.422 ( 6.235 -6.209 5.121) 10.181 7.552 ( -0.524 -3.509 -1.230) 3.755 7.641 ( -0.880 0.927 2.885) 3.155 7.662 ( -0.280 0.221 -3.506) 3.524 7.710 ( 0.799 -2.707 -1.702) 3.296 7.778 ( -2.440 2.328 -5.170) 6.172 7.952 ( 0.151 -7.022 0.078) 7.024 7.974 ( -1.837 -7.203 -0.860) 7.483 8.147 ( 1.446 3.014 -2.603) 4.237 8.183 ( -4.786 5.370 3.383) 7.949 8.432 ( 7.116 -0.205 -1.562) 7.288 8.513 ( -1.694 -0.831 0.716) 2.018 8.662 ( 1.759 -2.894 -0.314) 3.401 8.724 ( -3.548 3.923 1.479) 5.492 8.826 ( -1.138 -2.825 4.284) 5.257 8.873 ( -0.472 -3.231 -3.401) 4.715 9.161 ( 3.758 -2.089 0.460) 4.324 9.295 ( -7.371 -5.673 -1.796) 9.473 9.838 ( 2.155 -3.156 1.314) 4.041 9.877 ( -0.118 -3.382 -2.715) 4.339 10.090 ( 3.263 -4.902 0.872) 5.953 10.154 ( -2.785 -7.768 1.026) 8.315 10.400 ( -0.829 2.459 3.492) 4.351 10.429 ( -1.346 0.866 -1.746) 2.368 10.651 ( 3.395 -3.426 -2.045) 5.239 10.710 ( -2.959 -5.036 -0.709) 5.884 10.837 ( 1.979 2.327 -0.494) 3.094 10.858 ( -1.063 0.733 1.546) 2.015 11.336 ( -3.723 3.712 4.229) 6.747 11.354 ( -1.377 2.748 -3.545) 4.692 12.789 ( -1.049 -2.266 -1.690) 3.015 12.814 ( -4.513 -2.728 -0.125) 5.275 13.143 ( 4.141 4.051 2.828) 6.446 13.214 ( -0.744 2.291 -0.956) 2.591 13.907 ( 3.112 2.911 -0.529) 4.294 13.965 ( -2.710 1.605 -0.170) 3.154 14.317 ( 2.609 1.033 -0.414) 2.837 14.337 ( -0.133 0.773 0.791) 1.114 15.902 ( -1.258 0.433 0.390) 1.387 15.940 ( -4.782 -0.403 -0.412) 4.816 16.724 ( 0.507 0.350 -0.039) 0.617 16.734 ( -0.446 0.197 -0.203) 0.528 17.004 ( 0.723 2.591 2.245) 3.504 17.042 ( -1.016 2.603 -2.068) 3.476 17.190 ( 1.756 -2.341 0.877) 3.055 17.220 ( -1.193 -2.218 0.189) 2.526 17.609 ( 5.010 -2.735 -0.175) 5.710 17.656 ( 0.443 -3.878 -1.082) 4.050 18.575 ( 0.638 1.712 -0.174) 1.835 18.581 ( -0.200 1.561 0.083) 1.576 18.744 ( 1.229 0.737 0.305) 1.465 18.746 ( 1.283 0.651 -0.162) 1.448 19.297 ( -0.658 0.250 0.224) 0.739 19.305 ( -1.263 0.073 -0.316) 1.304 20.053 ( 1.418 -1.380 -0.504) 2.042 20.075 ( -1.520 -2.018 0.650) 2.608 20.382 ( -0.403 1.647 0.397) 1.742 20.396 ( -1.397 1.439 -0.519) 2.071 22.412 ( 4.407 -6.171 5.315) 9.260 22.497 ( 1.241 -10.168 -5.265) 11.518 24.762 ( 4.094 1.488 -1.741) 4.691 24.799 ( -1.982 0.266 2.546) 3.238 25.743 ( 6.300 -7.389 -1.329) 9.800 25.822 ( -2.975 -9.540 1.267) 10.073 26.459 ( 5.746 12.452 1.630) 13.810 26.619 ( -8.916 13.011 -3.344) 16.123 26.793 ( 9.884 2.486 0.788) 10.222 26.991 ( -11.569 1.804 0.690) 11.729 31.791 ( 1.335 0.197 2.470) 2.815 31.857 ( -3.176 -1.135 -2.293) 4.078 32.200 ( 5.953 -8.272 -1.261) 10.269 32.276 ( -3.538 -9.463 1.099) 10.163 ======================= Grid point 158 (72/75) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.399 -2.346 -4.257) 5.420 1.756 ( 2.399 -2.346 4.257) 5.420 2.010 ( 1.959 2.535 -5.059) 5.988 2.010 ( -1.959 2.535 5.059) 5.988 2.720 ( -7.763 4.864 -1.344) 9.259 2.720 ( 7.763 4.864 1.344) 9.259 3.022 ( -4.849 -2.475 -1.012) 5.537 3.022 ( 4.849 -2.475 1.012) 5.537 3.258 ( -2.023 5.206 -8.980) 10.575 3.258 ( 2.023 5.206 8.980) 10.575 3.560 ( -3.548 6.256 -10.654) 12.855 3.560 ( 3.548 6.256 10.654) 12.855 3.812 ( -0.012 -8.689 -3.576) 9.396 3.812 ( 0.012 -8.689 3.576) 9.396 4.264 ( -2.435 -1.270 -1.732) 3.247 4.264 ( 2.435 -1.270 1.732) 3.247 4.440 ( -1.555 4.443 -2.497) 5.329 4.440 ( 1.555 4.443 2.497) 5.329 4.537 ( -3.194 -2.550 -1.822) 4.475 4.537 ( 3.194 -2.550 1.822) 4.475 4.785 ( -1.778 3.761 -8.471) 9.437 4.785 ( 1.778 3.761 8.471) 9.437 4.873 ( -6.891 -2.674 -11.616) 13.769 4.873 ( 6.891 -2.674 11.616) 13.769 5.064 ( -4.619 3.093 -0.258) 5.565 5.064 ( 4.619 3.093 0.258) 5.565 5.295 ( 2.553 -2.682 -2.080) 4.247 5.295 ( -2.553 -2.682 2.080) 4.247 5.516 ( 1.940 0.005 -6.632) 6.910 5.516 ( -1.940 0.005 6.632) 6.910 5.684 ( -1.124 3.861 -4.046) 5.704 5.684 ( 1.124 3.861 4.046) 5.704 5.864 ( -3.432 3.412 -0.678) 4.886 5.864 ( 3.432 3.412 0.678) 4.886 6.125 ( 0.241 0.573 -2.559) 2.633 6.125 ( -0.241 0.573 2.559) 2.633 6.204 ( -0.064 -3.312 -1.638) 3.696 6.204 ( 0.064 -3.312 1.638) 3.696 6.376 ( 2.275 -3.131 -4.472) 5.914 6.376 ( -2.275 -3.131 4.472) 5.914 6.607 ( -5.355 1.370 -2.921) 6.252 6.607 ( 5.355 1.370 2.921) 6.252 6.941 ( -7.101 7.688 -1.878) 10.633 6.941 ( 7.101 7.688 1.878) 10.633 7.138 ( -7.161 -4.293 -3.226) 8.951 7.138 ( 7.161 -4.293 3.226) 8.951 7.203 ( -0.204 2.985 -2.714) 4.039 7.203 ( 0.204 2.985 2.714) 4.039 7.453 ( -1.039 -1.453 -2.821) 3.339 7.453 ( 1.039 -1.453 2.821) 3.339 7.640 ( -1.455 1.311 -0.276) 1.978 7.640 ( 1.455 1.311 0.276) 1.978 7.759 ( -1.783 -2.923 -0.283) 3.435 7.759 ( 1.783 -2.923 0.283) 3.435 7.904 ( 2.169 -6.835 -2.036) 7.454 7.904 ( -2.169 -6.835 2.036) 7.454 8.150 ( 1.627 -1.799 -4.378) 5.005 8.150 ( -1.627 -1.799 4.378) 5.005 8.394 ( 0.302 -2.099 -1.108) 2.393 8.394 ( -0.302 -2.099 1.108) 2.393 8.767 ( 0.615 2.137 -3.259) 3.945 8.767 ( -0.615 2.137 3.259) 3.945 9.028 ( -3.619 -2.695 0.982) 4.618 9.028 ( 3.619 -2.695 -0.982) 4.618 9.298 ( -2.578 3.074 -0.837) 4.098 9.298 ( 2.578 3.074 0.837) 4.098 9.701 ( -2.728 -6.355 -2.399) 7.320 9.701 ( 2.728 -6.355 2.399) 7.320 10.070 ( -0.593 0.520 -2.885) 2.990 10.070 ( 0.593 0.520 2.885) 2.990 10.431 ( 0.672 0.302 -2.958) 3.048 10.431 ( -0.672 0.302 2.958) 3.048 10.595 ( 1.355 -1.071 -1.866) 2.542 10.595 ( -1.355 -1.071 1.866) 2.542 10.988 ( 0.122 0.328 -2.827) 2.848 10.988 ( -0.122 0.328 2.827) 2.848 11.480 ( 0.937 1.434 -1.409) 2.218 11.480 ( -0.937 1.434 1.409) 2.218 12.891 ( -0.498 0.037 0.051) 0.502 12.891 ( 0.498 0.037 -0.051) 0.502 13.201 ( 0.330 -0.274 -0.522) 0.676 13.201 ( -0.330 -0.274 0.522) 0.676 14.021 ( 0.618 2.807 -2.327) 3.698 14.021 ( -0.618 2.807 2.327) 3.698 14.167 ( 0.737 -1.243 -2.905) 3.245 14.167 ( -0.737 -1.243 2.905) 3.245 16.204 ( -0.874 -0.498 -0.193) 1.024 16.204 ( 0.874 -0.498 0.193) 1.024 16.739 ( -0.203 0.104 -0.215) 0.314 16.739 ( 0.203 0.104 0.215) 0.314 17.016 ( -1.036 0.418 -0.035) 1.118 17.016 ( 1.036 0.418 0.035) 1.118 17.214 ( -0.283 1.234 -0.672) 1.433 17.214 ( 0.283 1.234 0.672) 1.433 17.367 ( -1.255 -1.550 -0.015) 1.994 17.367 ( 1.255 -1.550 0.015) 1.994 18.580 ( -0.409 0.348 0.052) 0.540 18.580 ( 0.409 0.348 -0.052) 0.540 18.622 ( -0.021 -0.019 -0.416) 0.417 18.622 ( 0.021 -0.019 0.416) 0.417 19.396 ( 0.245 0.155 -0.257) 0.388 19.396 ( -0.245 0.155 0.257) 0.388 20.024 ( 0.055 -0.854 -0.168) 0.872 20.024 ( -0.055 -0.854 0.168) 0.872 20.538 ( -0.276 0.766 -0.087) 0.819 20.538 ( 0.276 0.766 0.087) 0.819 22.024 ( 2.018 -1.562 -2.208) 3.374 22.024 ( -2.018 -1.562 2.208) 3.374 24.721 ( 0.368 0.196 -1.626) 1.678 24.721 ( -0.368 0.196 1.626) 1.678 25.549 ( 0.315 -2.238 -1.678) 2.815 25.549 ( -0.315 -2.238 1.678) 2.815 26.510 ( -1.064 2.927 -0.241) 3.123 26.510 ( 1.064 2.927 0.241) 3.123 27.299 ( -0.222 1.320 -3.590) 3.832 27.299 ( 0.222 1.320 3.590) 3.832 31.897 ( 1.100 3.019 -1.576) 3.579 31.897 ( -1.100 3.019 1.576) 3.579 32.039 ( 0.085 -5.183 -3.242) 6.114 32.039 ( -0.085 -5.183 3.242) 6.114 ======================= Grid point 160 (73/75) ======================= q-point: ( 0.14 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 2.667 4.402 -7.560) 9.146 1.830 ( 2.981 -6.786 -2.090) 7.701 2.095 ( 4.900 2.255 6.574) 8.504 2.100 ( 8.064 2.176 3.239) 8.958 2.544 ( -5.216 8.084 -0.757) 9.651 2.703 ( -3.283 -4.314 -1.398) 5.599 3.023 ( -1.033 4.066 -5.636) 7.026 3.148 ( 4.453 -4.801 -9.583) 11.607 3.262 ( 7.936 4.059 3.997) 9.769 3.315 ( 3.735 0.171 2.489) 4.492 3.518 ( 7.784 10.574 3.984) 13.721 3.721 ( -3.741 -3.408 4.460) 6.745 3.795 ( 7.991 1.119 3.239) 8.695 3.942 ( 6.927 -4.957 -5.492) 10.135 4.186 ( -3.110 1.103 -2.604) 4.203 4.244 ( -3.836 -4.203 1.346) 5.847 4.407 ( -3.468 3.750 -0.805) 5.171 4.476 ( 0.079 -2.263 -2.629) 3.470 4.558 ( -0.743 4.801 -6.100) 7.798 4.599 ( 6.671 3.192 7.232) 10.344 4.619 ( -6.992 -0.063 -5.673) 9.004 4.685 ( 1.913 -2.620 1.902) 3.760 4.829 ( -1.317 3.894 1.278) 4.305 4.974 ( -5.742 5.051 4.653) 8.952 5.006 ( -2.314 -6.846 0.334) 7.234 5.093 ( -3.690 -5.887 3.873) 7.954 5.329 ( -3.544 1.304 -6.171) 7.235 5.361 ( -11.440 -0.234 -1.199) 11.505 5.456 ( 10.129 6.148 7.680) 14.120 5.505 ( 4.186 0.433 -0.116) 4.210 5.599 ( -1.988 4.023 -0.082) 4.488 5.708 ( -1.879 0.922 6.306) 6.644 5.868 ( 0.049 1.034 -0.489) 1.145 5.976 ( 3.957 1.283 2.585) 4.897 6.099 ( 2.783 -0.362 -5.157) 5.872 6.160 ( 2.720 1.429 -5.399) 6.212 6.174 ( 0.738 -0.588 2.556) 2.725 6.255 ( 1.688 -3.250 -3.091) 4.793 6.342 ( -0.976 -3.995 0.255) 4.120 6.370 ( -4.544 -6.009 -4.997) 9.040 6.550 ( 6.570 6.224 2.329) 9.345 6.710 ( 4.245 -7.368 3.810) 9.318 6.890 ( -0.378 6.871 2.721) 7.400 6.962 ( -4.707 4.382 -1.362) 6.574 7.101 ( 3.100 -0.604 1.229) 3.389 7.146 ( -0.200 -0.613 -3.978) 4.030 7.245 ( 0.485 15.112 4.763) 15.852 7.341 ( -0.620 0.206 4.925) 4.968 7.415 ( 2.077 -3.676 2.810) 5.072 7.486 ( -3.098 0.339 -3.070) 4.375 7.556 ( -2.789 -5.264 3.586) 6.953 7.626 ( 3.111 -4.361 -0.265) 5.364 7.749 ( -0.193 1.213 -1.553) 1.980 7.795 ( -0.287 -2.396 -0.231) 2.424 7.885 ( 3.632 -3.712 -6.368) 8.217 7.943 ( 7.021 -7.390 -9.266) 13.775 8.127 ( -2.743 -1.063 3.950) 4.925 8.165 ( -1.648 -3.346 2.343) 4.405 8.390 ( -0.828 -0.389 1.615) 1.856 8.421 ( 1.408 -3.375 0.326) 3.672 8.723 ( -2.095 5.099 0.442) 5.531 8.808 ( 0.171 -1.682 1.900) 2.543 8.938 ( -6.114 2.677 0.746) 6.716 9.027 ( -4.710 -3.370 -1.769) 6.055 9.215 ( -1.029 1.213 -1.451) 2.153 9.260 ( -5.792 -2.217 -1.257) 6.328 9.695 ( 2.905 0.404 0.746) 3.026 9.807 ( 4.160 -8.689 2.870) 10.052 10.009 ( 0.300 2.192 -7.300) 7.627 10.065 ( -0.263 -2.716 -3.948) 4.799 10.441 ( 0.167 3.413 3.714) 5.047 10.485 ( 1.194 0.101 3.591) 3.786 10.587 ( -0.413 -1.495 0.374) 1.595 10.609 ( 1.686 -2.561 -1.258) 3.314 10.916 ( -3.689 2.265 -2.666) 5.084 10.954 ( -5.303 -1.544 1.729) 5.787 11.479 ( -1.178 2.058 1.757) 2.951 11.492 ( -0.066 0.727 0.004) 0.730 12.908 ( 2.352 1.833 -0.677) 3.058 12.949 ( 4.378 -2.168 -1.175) 5.025 13.125 ( -6.953 -0.001 1.257) 7.066 13.129 ( -6.362 -0.285 0.878) 6.429 14.003 ( -0.249 3.148 -2.067) 3.775 14.026 ( -0.052 1.111 -0.153) 1.123 14.196 ( 3.969 0.475 -0.321) 4.010 14.222 ( 3.047 -1.625 2.260) 4.127 16.128 ( -6.603 1.049 -0.015) 6.686 16.158 ( -5.645 -1.754 0.159) 5.913 16.732 ( -0.079 0.526 -0.458) 0.702 16.742 ( 0.122 -0.391 -0.275) 0.493 17.011 ( 0.046 2.026 0.956) 2.241 17.047 ( 1.753 -1.277 0.955) 2.370 17.174 ( -2.683 2.238 0.819) 3.589 17.215 ( -1.907 -1.399 1.217) 2.660 17.396 ( 5.615 1.440 -1.803) 6.071 17.446 ( 6.492 -3.171 -1.916) 7.475 18.576 ( 0.323 0.666 -0.205) 0.768 18.584 ( 0.532 -0.075 -0.406) 0.673 18.650 ( 2.855 0.341 0.163) 2.880 18.655 ( 2.616 -0.072 0.542) 2.673 19.374 ( -2.082 0.436 0.103) 2.129 19.381 ( -1.640 -0.183 -0.245) 1.668 20.022 ( 0.177 -0.082 0.107) 0.223 20.037 ( 0.821 -1.468 -0.075) 1.683 20.499 ( -3.295 1.369 -0.027) 3.568 20.513 ( -2.793 0.091 -0.160) 2.799 22.079 ( 5.693 0.169 1.577) 5.910 22.121 ( 9.144 -4.052 -1.762) 10.155 24.717 ( 0.837 1.298 -0.518) 1.629 24.739 ( 0.597 -0.774 1.461) 1.758 25.550 ( 1.533 -0.421 -0.324) 1.622 25.593 ( 2.916 -4.515 0.502) 5.398 26.513 ( 1.498 4.947 0.131) 5.170 26.556 ( 3.659 0.872 0.476) 3.792 27.208 ( -5.688 5.060 -3.419) 8.345 27.281 ( -5.582 -1.861 2.624) 6.443 31.843 ( -3.173 3.784 1.198) 5.081 31.936 ( 0.005 -4.354 -1.550) 4.622 31.993 ( 0.500 2.429 -0.144) 2.484 32.098 ( 2.306 -6.704 0.515) 7.108 ======================= Grid point 161 (74/75) ======================= q-point: ( 0.29 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 2.771 7.354 -5.090) 9.363 1.841 ( 1.158 -6.213 -1.953) 6.615 2.230 ( 3.093 6.132 5.034) 8.515 2.301 ( 4.471 -2.426 4.611) 6.865 2.560 ( 8.807 6.057 -3.588) 11.275 2.679 ( 1.952 -2.058 -0.860) 2.964 3.033 ( 7.732 -2.002 -1.295) 8.091 3.087 ( 3.740 -6.299 -6.020) 9.482 3.379 ( 3.973 6.481 0.710) 7.635 3.478 ( 5.134 0.359 -1.055) 5.254 3.715 ( 5.756 8.586 4.646) 11.333 3.778 ( 0.907 2.091 8.517) 8.817 3.823 ( -4.703 1.217 0.492) 4.882 3.987 ( 6.276 -3.233 -7.276) 10.138 4.081 ( -3.607 2.306 -1.322) 4.480 4.199 ( -4.892 -5.901 1.008) 7.731 4.332 ( -0.489 3.751 -2.160) 4.356 4.427 ( -1.580 -2.575 -3.242) 4.432 4.536 ( 0.496 5.078 -2.046) 5.497 4.591 ( 2.323 6.800 -0.868) 7.238 4.644 ( -0.703 -1.507 -4.374) 4.679 4.698 ( -5.444 2.499 0.667) 6.028 4.839 ( -3.410 -0.401 2.463) 4.225 4.920 ( 1.829 -1.370 3.622) 4.283 5.001 ( 1.810 -3.724 4.348) 6.004 5.055 ( -2.369 -6.545 5.023) 8.584 5.165 ( -5.356 -2.002 -5.039) 7.621 5.214 ( -1.790 -4.375 -4.377) 6.442 5.447 ( -6.367 9.946 -3.859) 12.424 5.606 ( -2.739 1.799 0.714) 3.354 5.694 ( 2.357 3.971 10.225) 11.220 5.761 ( -0.378 5.804 2.254) 6.237 5.791 ( -1.501 -4.584 -1.139) 4.956 6.044 ( -0.986 6.871 1.037) 7.018 6.071 ( 1.879 -12.154 -2.423) 12.535 6.121 ( -3.392 0.844 -6.981) 7.807 6.196 ( -1.162 -3.729 3.727) 5.398 6.206 ( -1.311 -2.862 -1.966) 3.712 6.401 ( 13.069 2.260 5.527) 14.369 6.451 ( 6.214 -1.903 6.518) 9.204 6.756 ( 9.937 3.419 0.829) 10.542 6.842 ( 4.281 -4.632 1.555) 6.496 6.889 ( 0.637 4.324 -0.680) 4.424 6.940 ( -1.420 2.130 2.971) 3.922 7.053 ( -2.000 1.764 -2.030) 3.352 7.114 ( -0.496 -1.744 -2.524) 3.108 7.231 ( -2.757 4.989 2.961) 6.423 7.329 ( -5.332 -1.114 -3.991) 6.752 7.396 ( -3.290 -0.150 -1.936) 3.820 7.507 ( -0.059 -0.237 2.955) 2.965 7.534 ( 5.436 2.357 5.153) 7.852 7.708 ( -2.505 3.318 0.250) 4.165 7.752 ( -2.224 -1.617 -2.179) 3.508 7.794 ( 3.933 -8.240 2.185) 9.388 7.881 ( 4.806 2.229 -10.562) 11.816 7.956 ( 1.495 -4.626 -6.793) 8.354 8.151 ( 2.272 -3.042 0.455) 3.824 8.159 ( 1.710 -3.637 3.007) 5.019 8.382 ( -1.982 1.527 3.093) 3.978 8.449 ( 1.691 -5.233 0.462) 5.519 8.678 ( -2.418 7.447 -2.938) 8.363 8.798 ( -2.812 -1.029 2.077) 3.644 8.851 ( -3.563 0.303 2.000) 4.097 8.898 ( -5.802 -0.694 -1.377) 6.004 9.143 ( -5.123 -0.586 0.081) 5.157 9.209 ( -0.844 -6.112 -0.717) 6.211 9.769 ( 3.038 2.531 1.640) 4.281 9.874 ( 0.803 -4.586 -0.051) 4.656 9.972 ( 2.360 -1.257 -3.479) 4.388 10.017 ( 0.590 -3.684 -4.682) 5.987 10.474 ( -1.346 4.638 3.876) 6.192 10.509 ( -1.569 2.865 1.599) 3.637 10.585 ( 0.215 -2.952 -1.141) 3.172 10.623 ( 0.286 -4.984 -0.630) 5.032 10.856 ( -0.283 1.605 -0.640) 1.751 10.878 ( -3.384 -0.600 1.445) 3.728 11.449 ( -4.198 1.825 2.115) 5.043 11.459 ( -3.103 0.756 -0.545) 3.240 12.864 ( -5.595 0.652 -2.577) 6.194 12.892 ( -7.125 -1.958 -2.074) 7.675 13.106 ( 3.236 2.216 3.193) 5.057 13.146 ( 5.240 -1.546 1.918) 5.790 13.975 ( -0.584 3.302 -1.617) 3.723 14.014 ( -0.735 -0.311 -1.000) 1.280 14.275 ( 4.018 0.996 0.382) 4.157 14.298 ( 2.824 -1.000 1.488) 3.345 15.999 ( -6.670 1.495 0.075) 6.836 16.034 ( -7.188 -1.690 0.017) 7.384 16.729 ( 0.180 0.514 -0.397) 0.674 16.739 ( -0.021 -0.425 -0.439) 0.611 17.033 ( 0.770 2.970 1.680) 3.498 17.092 ( 1.659 -2.530 1.581) 3.414 17.137 ( -1.787 2.699 -0.165) 3.241 17.191 ( -1.532 -2.320 0.507) 2.826 17.495 ( 6.405 1.163 -1.624) 6.709 17.540 ( 5.345 -3.059 -1.711) 6.392 18.587 ( 0.916 0.749 -0.143) 1.192 18.594 ( 0.755 0.115 -0.214) 0.794 18.711 ( 3.185 0.340 0.147) 3.206 18.713 ( 2.903 0.106 0.414) 2.935 19.332 ( -2.293 0.443 0.034) 2.335 19.340 ( -2.273 -0.289 -0.237) 2.304 20.028 ( 0.332 0.144 -0.036) 0.364 20.046 ( 0.058 -1.528 0.078) 1.531 20.441 ( -2.665 1.330 0.030) 2.979 20.455 ( -2.840 -0.001 -0.192) 2.847 22.219 ( 6.893 0.120 1.474) 7.050 22.270 ( 8.024 -5.126 -1.767) 9.684 24.745 ( 2.547 1.621 -0.378) 3.043 24.771 ( 1.251 -0.935 1.480) 2.152 25.589 ( 2.928 -0.286 -0.512) 2.986 25.647 ( 1.834 -5.756 0.764) 6.089 26.568 ( 4.269 6.857 0.542) 8.096 26.652 ( 6.222 -1.049 0.626) 6.340 27.042 ( -8.906 7.737 -2.514) 12.062 27.158 ( -9.460 -3.292 1.042) 10.071 31.810 ( -1.564 2.967 1.016) 3.504 31.885 ( -2.741 -3.898 -0.871) 4.844 32.038 ( 3.435 1.569 -0.690) 3.839 32.128 ( 0.422 -6.520 0.515) 6.554 ======================= Grid point 162 (75/75) ======================= q-point: ( 0.43 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.168 4.221 0.919) 6.003 1.818 ( -2.077 -3.840 -2.680) 5.123 2.286 ( 1.211 4.574 0.410) 4.749 2.319 ( -3.037 0.831 1.709) 3.582 2.703 ( 7.403 -0.058 -3.166) 8.052 2.729 ( 0.959 -1.728 2.239) 2.987 3.209 ( 11.809 1.585 0.164) 11.916 3.249 ( 13.656 -2.928 -0.130) 13.967 3.411 ( -2.177 2.832 -0.855) 3.672 3.432 ( -7.764 2.749 -3.001) 8.766 3.751 ( 0.819 5.672 2.125) 6.112 3.792 ( -0.886 1.583 6.906) 7.141 3.855 ( -3.869 5.381 2.731) 7.169 3.940 ( -5.737 -1.570 -6.714) 8.970 4.059 ( 5.350 4.266 0.716) 6.880 4.186 ( -0.646 -1.453 -3.156) 3.534 4.281 ( 0.001 -4.686 0.274) 4.694 4.334 ( -3.078 -3.471 -3.525) 5.827 4.475 ( -2.041 5.027 -2.754) 6.085 4.510 ( -4.510 2.542 -0.197) 5.181 4.730 ( 5.573 10.173 6.433) 13.264 4.757 ( 6.634 1.055 -1.066) 6.801 4.815 ( 0.922 -3.817 2.365) 4.584 4.933 ( -4.071 -1.567 -3.450) 5.562 5.037 ( -1.323 -4.223 -0.597) 4.465 5.084 ( 1.963 -1.922 -0.523) 2.796 5.115 ( -1.787 -5.571 4.984) 7.686 5.192 ( 0.726 -4.653 -2.482) 5.323 5.287 ( -1.189 2.285 -1.512) 2.986 5.444 ( -10.917 -8.593 -3.406) 14.305 5.708 ( -0.262 9.994 2.772) 10.375 5.755 ( -0.651 10.383 -3.089) 10.852 5.880 ( 2.583 -3.148 5.626) 6.945 5.983 ( -4.077 -2.206 -3.748) 5.961 6.066 ( 3.451 -3.310 3.409) 5.873 6.128 ( 2.272 -9.587 -0.436) 9.862 6.198 ( -0.143 1.367 0.079) 1.377 6.219 ( -1.600 -1.786 1.371) 2.762 6.634 ( 7.005 5.200 5.456) 10.290 6.668 ( 7.568 1.303 3.721) 8.533 6.822 ( -2.375 5.041 -2.380) 6.059 6.842 ( -3.407 8.728 1.157) 9.440 6.914 ( 2.520 0.707 1.300) 2.922 6.951 ( -0.012 -1.182 0.499) 1.283 7.024 ( -0.250 -1.960 -2.091) 2.877 7.064 ( -4.164 -1.617 0.018) 4.467 7.253 ( 3.070 -0.814 1.587) 3.551 7.310 ( 5.570 -4.349 0.354) 7.076 7.327 ( -0.569 2.969 -4.558) 5.469 7.442 ( -4.902 -6.536 -2.768) 8.626 7.669 ( -1.442 1.660 1.300) 2.555 7.692 ( -1.055 -0.048 -0.844) 1.352 7.710 ( 3.117 4.846 6.158) 8.433 7.804 ( 0.528 -1.681 -2.898) 3.392 7.840 ( -0.497 -2.292 -5.180) 5.687 7.867 ( -4.188 -3.456 -2.378) 5.928 8.204 ( 5.301 2.601 -1.777) 6.167 8.252 ( -0.083 -0.361 2.973) 2.996 8.409 ( 2.339 -0.080 1.070) 2.574 8.465 ( -1.614 -4.039 -0.487) 4.377 8.655 ( 4.208 4.559 0.182) 6.207 8.762 ( -3.766 -2.737 -1.376) 4.855 8.813 ( -0.633 1.786 1.467) 2.396 8.836 ( -1.592 -0.922 0.589) 1.932 9.085 ( -0.618 -2.335 0.418) 2.451 9.145 ( -4.841 -6.760 -0.761) 8.350 9.824 ( 1.096 1.692 2.066) 2.886 9.857 ( -0.143 -0.005 -2.683) 2.687 10.000 ( 1.018 -3.585 0.449) 3.753 10.007 ( 1.172 -4.292 -1.614) 4.732 10.471 ( -2.632 3.733 4.140) 6.165 10.481 ( -0.053 3.200 -2.779) 4.239 10.577 ( 1.068 -3.321 -1.832) 3.940 10.598 ( -2.466 -4.993 0.842) 5.632 10.874 ( 1.315 0.997 0.118) 1.654 10.877 ( 0.767 0.632 0.904) 1.343 11.390 ( -3.239 1.397 1.675) 3.905 11.394 ( -2.068 0.977 -1.189) 2.578 12.758 ( -2.533 -0.509 -1.059) 2.793 12.769 ( -3.878 -1.439 -0.527) 4.170 13.208 ( 3.730 2.188 1.496) 4.576 13.234 ( 1.891 -0.235 0.392) 1.946 13.962 ( 0.664 2.008 -0.755) 2.246 13.984 ( -1.549 0.011 -0.470) 1.618 14.334 ( 1.906 0.573 0.066) 1.991 14.342 ( 0.691 -0.175 0.648) 0.963 15.915 ( -2.173 0.717 0.095) 2.290 15.929 ( -3.601 -0.619 -0.069) 3.655 16.730 ( 0.231 0.232 -0.108) 0.344 16.734 ( -0.128 -0.130 -0.230) 0.293 17.067 ( 1.096 3.205 1.636) 3.762 17.102 ( -1.435 2.781 -0.779) 3.225 17.136 ( 1.479 -2.703 1.012) 3.243 17.167 ( -1.188 -2.810 -0.477) 3.088 17.576 ( 3.199 -0.390 -0.519) 3.264 17.593 ( 1.511 -1.996 -0.783) 2.623 18.601 ( 0.556 0.693 -0.055) 0.890 18.603 ( 0.273 0.466 -0.037) 0.542 18.755 ( 1.363 0.293 0.021) 1.395 18.756 ( 1.176 0.221 0.191) 1.212 19.302 ( -0.863 0.206 0.055) 0.889 19.305 ( -1.099 -0.098 -0.153) 1.114 20.033 ( 0.375 -0.347 -0.126) 0.526 20.041 ( -0.569 -1.083 0.142) 1.231 20.411 ( -0.703 0.915 0.145) 1.163 20.417 ( -1.139 0.388 -0.191) 1.219 22.329 ( 3.091 -1.573 1.542) 3.796 22.351 ( 2.497 -3.864 -1.687) 4.900 24.789 ( 2.348 0.961 -0.783) 2.655 24.801 ( 0.034 -0.188 1.250) 1.265 25.636 ( 2.728 -2.209 -0.737) 3.587 25.664 ( -0.893 -4.814 0.853) 4.970 26.681 ( 7.253 8.172 0.998) 10.972 26.788 ( 6.764 -1.589 0.227) 6.952 26.858 ( -7.443 7.816 -1.108) 10.850 26.978 ( -10.143 -3.152 -0.276) 10.625 31.808 ( 0.234 1.248 0.895) 1.553 31.835 ( -1.779 -1.148 -0.829) 2.274 32.089 ( 2.787 -1.882 -0.624) 3.420 32.123 ( -1.440 -4.814 0.527) 5.053 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30240 10.0 434.207 236.169 284.107 0.000 21.233 0.000 3/30240 20.0 65.125 39.177 50.627 0.000 0.820 0.000 3/30240 30.0 23.634 15.357 18.498 0.000 -0.578 0.000 3/30240 40.0 12.455 8.526 9.775 0.000 -0.521 0.000 3/30240 50.0 7.981 5.672 6.307 0.000 -0.389 0.000 3/30240 60.0 5.743 4.196 4.578 0.000 -0.289 0.000 3/30240 70.0 4.452 3.319 3.579 0.000 -0.222 0.000 3/30240 80.0 3.628 2.746 2.939 0.000 -0.175 0.000 3/30240 90.0 3.064 2.346 2.499 0.000 -0.144 0.000 3/30240 100.0 2.656 2.050 2.177 0.000 -0.121 0.000 3/30240 110.0 2.347 1.823 1.933 0.000 -0.104 0.000 3/30240 120.0 2.106 1.644 1.740 0.000 -0.092 0.000 3/30240 130.0 1.913 1.498 1.584 0.000 -0.082 0.000 3/30240 140.0 1.754 1.377 1.456 0.000 -0.074 0.000 3/30240 150.0 1.622 1.275 1.348 0.000 -0.068 0.000 3/30240 160.0 1.509 1.188 1.255 0.000 -0.063 0.000 3/30240 170.0 1.413 1.113 1.176 0.000 -0.059 0.000 3/30240 180.0 1.329 1.047 1.106 0.000 -0.055 0.000 3/30240 190.0 1.256 0.989 1.045 0.000 -0.052 0.000 3/30240 200.0 1.190 0.938 0.991 0.000 -0.050 0.000 3/30240 210.0 1.133 0.892 0.942 0.000 -0.047 0.000 3/30240 220.0 1.080 0.851 0.898 0.000 -0.045 0.000 3/30240 230.0 1.033 0.814 0.859 0.000 -0.043 0.000 3/30240 240.0 0.991 0.780 0.823 0.000 -0.041 0.000 3/30240 250.0 0.952 0.749 0.790 0.000 -0.040 0.000 3/30240 260.0 0.916 0.721 0.760 0.000 -0.038 0.000 3/30240 270.0 0.883 0.695 0.732 0.000 -0.037 0.000 3/30240 280.0 0.853 0.671 0.707 0.000 -0.036 0.000 3/30240 290.0 0.825 0.648 0.683 0.000 -0.035 0.000 3/30240 300.0 0.798 0.628 0.661 0.000 -0.034 0.000 3/30240 310.0 0.774 0.608 0.640 0.000 -0.033 0.000 3/30240 320.0 0.751 0.590 0.621 0.000 -0.032 0.000 3/30240 330.0 0.730 0.573 0.603 0.000 -0.031 0.000 3/30240 340.0 0.709 0.558 0.586 0.000 -0.030 0.000 3/30240 350.0 0.690 0.543 0.570 0.000 -0.030 0.000 3/30240 360.0 0.672 0.528 0.555 0.000 -0.029 0.000 3/30240 370.0 0.655 0.515 0.540 0.000 -0.028 0.000 3/30240 380.0 0.639 0.502 0.527 0.000 -0.028 0.000 3/30240 390.0 0.624 0.490 0.514 0.000 -0.027 0.000 3/30240 400.0 0.609 0.479 0.502 0.000 -0.026 0.000 3/30240 410.0 0.595 0.468 0.490 0.000 -0.026 0.000 3/30240 420.0 0.582 0.458 0.479 0.000 -0.025 0.000 3/30240 430.0 0.569 0.448 0.469 0.000 -0.025 0.000 3/30240 440.0 0.557 0.438 0.459 0.000 -0.024 0.000 3/30240 450.0 0.546 0.429 0.449 0.000 -0.024 0.000 3/30240 460.0 0.535 0.421 0.440 0.000 -0.023 0.000 3/30240 470.0 0.524 0.412 0.431 0.000 -0.023 0.000 3/30240 480.0 0.514 0.404 0.422 0.000 -0.023 0.000 3/30240 490.0 0.504 0.397 0.414 0.000 -0.022 0.000 3/30240 500.0 0.494 0.389 0.406 0.000 -0.022 0.000 3/30240 510.0 0.485 0.382 0.399 0.000 -0.021 0.000 3/30240 520.0 0.476 0.375 0.391 0.000 -0.021 0.000 3/30240 530.0 0.468 0.369 0.384 0.000 -0.021 0.000 3/30240 540.0 0.460 0.362 0.378 0.000 -0.020 0.000 3/30240 550.0 0.452 0.356 0.371 0.000 -0.020 0.000 3/30240 560.0 0.444 0.350 0.365 0.000 -0.020 0.000 3/30240 570.0 0.437 0.345 0.359 0.000 -0.019 0.000 3/30240 580.0 0.430 0.339 0.353 0.000 -0.019 0.000 3/30240 590.0 0.423 0.334 0.347 0.000 -0.019 0.000 3/30240 600.0 0.416 0.328 0.342 0.000 -0.019 0.000 3/30240 610.0 0.410 0.323 0.336 0.000 -0.018 0.000 3/30240 620.0 0.404 0.318 0.331 0.000 -0.018 0.000 3/30240 630.0 0.397 0.314 0.326 0.000 -0.018 0.000 3/30240 640.0 0.392 0.309 0.321 0.000 -0.018 0.000 3/30240 650.0 0.386 0.305 0.317 0.000 -0.017 0.000 3/30240 660.0 0.380 0.300 0.312 0.000 -0.017 0.000 3/30240 670.0 0.375 0.296 0.307 0.000 -0.017 0.000 3/30240 680.0 0.370 0.292 0.303 0.000 -0.017 0.000 3/30240 690.0 0.364 0.288 0.299 0.000 -0.016 0.000 3/30240 700.0 0.360 0.284 0.295 0.000 -0.016 0.000 3/30240 710.0 0.355 0.280 0.291 0.000 -0.016 0.000 3/30240 720.0 0.350 0.277 0.287 0.000 -0.016 0.000 3/30240 730.0 0.345 0.273 0.283 0.000 -0.016 0.000 3/30240 740.0 0.341 0.269 0.279 0.000 -0.015 0.000 3/30240 750.0 0.337 0.266 0.276 0.000 -0.015 0.000 3/30240 760.0 0.332 0.263 0.272 0.000 -0.015 0.000 3/30240 770.0 0.328 0.260 0.269 0.000 -0.015 0.000 3/30240 780.0 0.324 0.256 0.266 0.000 -0.015 0.000 3/30240 790.0 0.320 0.253 0.262 0.000 -0.015 0.000 3/30240 800.0 0.316 0.250 0.259 0.000 -0.014 0.000 3/30240 810.0 0.313 0.247 0.256 0.000 -0.014 0.000 3/30240 820.0 0.309 0.244 0.253 0.000 -0.014 0.000 3/30240 830.0 0.305 0.242 0.250 0.000 -0.014 0.000 3/30240 840.0 0.302 0.239 0.247 0.000 -0.014 0.000 3/30240 850.0 0.298 0.236 0.244 0.000 -0.014 0.000 3/30240 860.0 0.295 0.233 0.242 0.000 -0.013 0.000 3/30240 870.0 0.292 0.231 0.239 0.000 -0.013 0.000 3/30240 880.0 0.288 0.228 0.236 0.000 -0.013 0.000 3/30240 890.0 0.285 0.226 0.234 0.000 -0.013 0.000 3/30240 900.0 0.282 0.224 0.231 0.000 -0.013 0.000 3/30240 910.0 0.279 0.221 0.229 0.000 -0.013 0.000 3/30240 920.0 0.276 0.219 0.226 0.000 -0.013 0.000 3/30240 930.0 0.273 0.217 0.224 0.000 -0.012 0.000 3/30240 940.0 0.271 0.214 0.222 0.000 -0.012 0.000 3/30240 950.0 0.268 0.212 0.219 0.000 -0.012 0.000 3/30240 960.0 0.265 0.210 0.217 0.000 -0.012 0.000 3/30240 970.0 0.262 0.208 0.215 0.000 -0.012 0.000 3/30240 980.0 0.260 0.206 0.213 0.000 -0.012 0.000 3/30240 990.0 0.257 0.204 0.211 0.000 -0.012 0.000 3/30240 1000.0 0.255 0.202 0.209 0.000 -0.012 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m794.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:38:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|